N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide

C22H27N3O2 — CID 162682804

IUPACN-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide
SMILESCC1CN(c2ccnc(C(=O)NC3(Cc4ccccc4)CC3)c2)CC(C)O1
InChIInChI=1S/C22H27N3O2/c1-16-14-25(15-17(2)27-16)19-8-11-23-20(12-19)21(26)24-22(9-10-22)13-18-6-4-3-5-7-18/h3-8,11-12,16-17H,9-10,13-15H2,1-2H3,(H,24,26)
InChIKeyKTKJZTNOANVRHU-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.20
Rot. Bonds5

About N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide

N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide (PubChem CID 162682804) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide
PubChem CID162682804
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide
SMILESCC1CN(c2ccnc(C(=O)NC3(Cc4ccccc4)CC3)c2)CC(C)O1
InChIInChI=1S/C22H27N3O2/c1-16-14-25(15-17(2)27-16)19-8-11-23-20(12-19)21(26)24-22(9-10-22)13-18-6-4-3-5-7-18/h3-8,11-12,16-17H,9-10,13-15H2,1-2H3,(H,24,26)
InChIKeyKTKJZTNOANVRHU-UHFFFAOYSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylcyclopropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 99831743
N-[1-(2,3-dihydro-1-benzofuran-7-ylmethyl)cyclopropyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-2-carboxamide
CID 162682793
N-(1-benzylcyclopropyl)-4-chloropyridine-2-carboxamide
CID 170994125
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,3,3-tetrafluoropropyl)pyridine-2-carboxamide
CID 99837002
N-benzyl-4-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-2-carboxamide
CID 133379384
N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide
CID 162682695
4-[(3R,5S)-3-hydroxy-5-methylpiperidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682713
N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
CID 162682814
N-(1-benzylcyclohexyl)pyrazine-2-carboxamide
CID 110661541
N-benzyl-4-[(2S)-2-methylthiomorpholin-4-yl]pyridine-2-carboxamide
CID 97316438
4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682747
4-(3,3-dimethylpiperidin-1-yl)-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682808

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide (CID 162682804) is N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide is CC1CN(c2ccnc(C(=O)NC3(Cc4ccccc4)CC3)c2)CC(C)O1.
What is the InChIKey of N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide?
The InChIKey is KTKJZTNOANVRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-14-25(15-17(2)27-16)19-8-11-23-20(12-19)21(26)24-22(9-10-22)13-18-6-4-3-5-7-18/h3-8,11-12,16-17H,9-10,13-15H2,1-2H3,(H,24,26).
What are the key properties of N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide?
N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 162682804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).