N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide

C21H17N5O2 — CID 123657138

IUPACN-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CNc2nc(=O)[nH]c3ncccc23)cc1)c1ccccc1
InChIInChI=1S/C21H17N5O2/c27-20(15-5-2-1-3-6-15)24-16-10-8-14(9-11-16)13-23-19-17-7-4-12-22-18(17)25-21(28)26-19/h1-12H,13H2,(H,24,27)(H2,22,23,25,26,28)
InChIKeyDILSMFMJIRYTDK-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.18
Rot. Bonds5

About N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide

N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide (PubChem CID 123657138) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide
PubChem CID123657138
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CNc2nc(=O)[nH]c3ncccc23)cc1)c1ccccc1
InChIInChI=1S/C21H17N5O2/c27-20(15-5-2-1-3-6-15)24-16-10-8-14(9-11-16)13-23-19-17-7-4-12-22-18(17)25-21(28)26-19/h1-12H,13H2,(H,24,27)(H2,22,23,25,26,28)
InChIKeyDILSMFMJIRYTDK-UHFFFAOYSA-N
XLogP3.18
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
CID 123952107
4-[3-[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]propyl]-N-phenylbenzamide
CID 123289202
N-[2-(dimethylamino)ethyl]-3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide
CID 123827591
4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one
CID 123653745
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
CID 67253188
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
CID 112982578
2-chloro-N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 25025706
4-[[(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)amino]methyl]benzoic acid
CID 58167949
4-fluoro-N-[4-[[[2-(furan-2-ylmethylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 68940813
4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 25024532
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide?
The IUPAC name of N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide (CID 123657138) is N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide is O=C(Nc1ccc(CNc2nc(=O)[nH]c3ncccc23)cc1)c1ccccc1.
What is the InChIKey of N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide?
The InChIKey is DILSMFMJIRYTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c27-20(15-5-2-1-3-6-15)24-16-10-8-14(9-11-16)13-23-19-17-7-4-12-22-18(17)25-21(28)26-19/h1-12H,13H2,(H,24,27)(H2,22,23,25,26,28).
What are the key properties of N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide?
N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide has a molecular weight of 371.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide is sourced from PubChem (CID 123657138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).