N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide

C23H27N5O2 — CID 97443096

IUPACN-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C
InChIInChI=1S/C23H27N5O2/c1-3-27(16-18-7-5-4-6-8-18)22(29)21-13-19(17-26(21)2)20-14-24-23(25-15-20)28-9-11-30-12-10-28/h4-8,13-15,17H,3,9-12,16H2,1-2H3
InChIKeyPBMPHWCMCHEJFP-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.98
Rot. Bonds6

About N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide

N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide (PubChem CID 97443096) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
PubChem CID97443096
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C
InChIInChI=1S/C23H27N5O2/c1-3-27(16-18-7-5-4-6-8-18)22(29)21-13-19(17-26(21)2)20-14-24-23(25-15-20)28-9-11-30-12-10-28/h4-8,13-15,17H,3,9-12,16H2,1-2H3
InChIKeyPBMPHWCMCHEJFP-UHFFFAOYSA-N
XLogP2.98
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97361600
N-benzyl-N-ethyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250116
1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155834046
1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97407332
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyrimidine-5-carboxamide
CID 109254752
N-(1-hydroxybutan-2-yl)-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 155900630
N-ethyl-4-(3-methylphenyl)-N-[(3-methylphenyl)methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 59421326
N-[(2,4-difluorophenyl)methyl]-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850151
N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide
CID 108517517
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide
CID 109258326
N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide
CID 112803367
4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine
CID 138973898

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide (CID 97443096) is N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(-c2cnc(N3CCOCC3)nc2)cn1C.
What is the InChIKey of N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
The InChIKey is PBMPHWCMCHEJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-3-27(16-18-7-5-4-6-8-18)22(29)21-13-19(17-26(21)2)20-14-24-23(25-15-20)28-9-11-30-12-10-28/h4-8,13-15,17H,3,9-12,16H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide?
N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 97443096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).