N-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide

C21H17N5O2 — CID 70306936

IUPACN-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cc(NC(=O)Cc3ccccc3)ncn2)cc1
InChIInChI=1S/C21H17N5O2/c22-12-16-6-8-17(9-7-16)13-23-21(28)18-11-19(25-14-24-18)26-20(27)10-15-4-2-1-3-5-15/h1-9,11,14H,10,13H2,(H,23,28)(H,24,25,26,27)
InChIKeyJKXRCBKIZNNEPS-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.46
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide

N-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide (PubChem CID 70306936) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide
PubChem CID70306936
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cc(NC(=O)Cc3ccccc3)ncn2)cc1
InChIInChI=1S/C21H17N5O2/c22-12-16-6-8-17(9-7-16)13-23-21(28)18-11-19(25-14-24-18)26-20(27)10-15-4-2-1-3-5-15/h1-9,11,14H,10,13H2,(H,23,28)(H,24,25,26,27)
InChIKeyJKXRCBKIZNNEPS-UHFFFAOYSA-N
XLogP2.46
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-benzyl-4-N-[(4-cyanophenyl)-dideuteriomethyl]pyrimidine-4,6-dicarboxamide
CID 118410976
6-N-benzyl-4-N-[(4-cyanophenyl)-dihydroxymethyl]pyrimidine-4,6-dicarboxamide
CID 144609991
6-chloro-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide
CID 89292810
N-[(4-cyanophenyl)methyl]-6-(2,3-dihydro-1-benzothiophene-3-carbonylamino)pyrimidine-4-carboxamide
CID 70306687
6-amino-N-[(4-cyanophenyl)methyl]pyrimidine-4-carboxamide;ethane
CID 143601893
N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347
6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109346612
N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690
N-(4-cyanophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353572
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340213
N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346632

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide (CID 70306936) is N-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide is N#Cc1ccc(CNC(=O)c2cc(NC(=O)Cc3ccccc3)ncn2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide?
The InChIKey is JKXRCBKIZNNEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c22-12-16-6-8-17(9-7-16)13-23-21(28)18-11-19(25-14-24-18)26-20(27)10-15-4-2-1-3-5-15/h1-9,11,14H,10,13H2,(H,23,28)(H,24,25,26,27).
What are the key properties of N-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide?
N-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-6-[(2-phenylacetyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 70306936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).