N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide

C38H42F2N10O7 — CID 161031991

IUPACN-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide
SMILESNCC(=O)c1cnc(CN(C(=O)N2CCOCC2)c2ccccc2)nc1.O=C(CNC(=O)C(F)F)c1cnc(CN(C(=O)N2CCOCC2)c2ccccc2)nc1
InChIInChI=1S/C20H21F2N5O4.C18H21N5O3/c21-18(22)19(29)25-12-16(28)14-10-23-17(24-11-14)13-27(15-4-2-1-3-5-15)20(30)26-6-8-31-9-7-26;19-10-16(24)14-11-20-17(21-12-14)13-23(15-4-2-1-3-5-15)18(25)22-6-8-26-9-7-22/h1-5,10-11,18H,6-9,12-13H2,(H,25,29);1-5,11-12H,6-10,13,19H2
InChIKeyTZSXNKRTWONQOG-UHFFFAOYSA-N
MW788.81 g/mol
LogP2.58
Rot. Bonds12

About N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide

N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide (PubChem CID 161031991) has the molecular formula C38H42F2N10O7 and a molecular weight of 788.81 g/mol. Its IUPAC name is N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide
PubChem CID161031991
Molecular FormulaC38H42F2N10O7
Molecular Weight788.81 g/mol
Exact Mass788.32
IUPAC NameN-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide
SMILESNCC(=O)c1cnc(CN(C(=O)N2CCOCC2)c2ccccc2)nc1.O=C(CNC(=O)C(F)F)c1cnc(CN(C(=O)N2CCOCC2)c2ccccc2)nc1
InChIInChI=1S/C20H21F2N5O4.C18H21N5O3/c21-18(22)19(29)25-12-16(28)14-10-23-17(24-11-14)13-27(15-4-2-1-3-5-15)20(30)26-6-8-31-9-7-26;19-10-16(24)14-11-20-17(21-12-14)13-23(15-4-2-1-3-5-15)18(25)22-6-8-26-9-7-22/h1-5,10-11,18H,6-9,12-13H2,(H,25,29);1-5,11-12H,6-10,13,19H2
InChIKeyTZSXNKRTWONQOG-UHFFFAOYSA-N
XLogP2.58
TPSA206.38 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.81
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(2-aminoacetyl)phenyl]methyl]-N-pyridin-3-ylmorpholine-4-carboxamide;N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
CID 158772734
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(4-chlorophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide;N-(4-chlorophenyl)-N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 158286066
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894353
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-1,1-dioxo-N-(4-pyridin-3-ylphenyl)-1,4-thiazinane-4-carboxamide
CID 158747702
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 134584348
N-[[4-(2-aminoacetyl)phenyl]methyl]-1,1-dioxo-N-(4-phenylphenyl)-1,4-thiazinane-4-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]phenyl]methyl]-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 159631313
N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenyl-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
CID 161074600
N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
CID 158772736
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 159497064
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide
CID 159840087
N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide
CID 160669247
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide
CID 158373017

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide?
The IUPAC name of N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide (CID 161031991) is N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide is NCC(=O)c1cnc(CN(C(=O)N2CCOCC2)c2ccccc2)nc1.O=C(CNC(=O)C(F)F)c1cnc(CN(C(=O)N2CCOCC2)c2ccccc2)nc1.
What is the InChIKey of N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide?
The InChIKey is TZSXNKRTWONQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O4.C18H21N5O3/c21-18(22)19(29)25-12-16(28)14-10-23-17(24-11-14)13-27(15-4-2-1-3-5-15)20(30)26-6-8-31-9-7-26;19-10-16(24)14-11-20-17(21-12-14)13-23(15-4-2-1-3-5-15)18(25)22-6-8-26-9-7-22/h1-5,10-11,18H,6-9,12-13H2,(H,25,29);1-5,11-12H,6-10,13,19H2.
What are the key properties of N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide?
N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide has a molecular weight of 788.81 g/mol, XLogP of 2.58, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-aminoacetyl)pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide;N-[[5-[2-[(2,2-difluoroacetyl)amino]acetyl]pyrimidin-2-yl]methyl]-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 161031991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).