N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide

C16H13N5O — CID 39954034

IUPACN-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide
SMILESO=C(Nc1ccncc1)c1cccc(Nc2ncccn2)c1
InChIInChI=1S/C16H13N5O/c22-15(20-13-5-9-17-10-6-13)12-3-1-4-14(11-12)21-16-18-7-2-8-19-16/h1-11H,(H,17,20,22)(H,18,19,21)
InChIKeyMREWVLLLSWXVIJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.87
Rot. Bonds4

About N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide

N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide (PubChem CID 39954034) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide
PubChem CID39954034
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC NameN-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide
SMILESO=C(Nc1ccncc1)c1cccc(Nc2ncccn2)c1
InChIInChI=1S/C16H13N5O/c22-15(20-13-5-9-17-10-6-13)12-3-1-4-14(11-12)21-16-18-7-2-8-19-16/h1-11H,(H,17,20,22)(H,18,19,21)
InChIKeyMREWVLLLSWXVIJ-UHFFFAOYSA-N
XLogP2.87
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide
CID 35374224
N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide
CID 31861938
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
ethane;N-ethylethanamine;N-[3-(pyrimidin-2-ylamino)phenyl]benzamide
CID 91174490
N-methoxy-3-(pyrimidin-2-ylamino)benzamide
CID 38013437
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(pyrimidin-2-ylamino)benzamide
CID 31896611
N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide
CID 39575052
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
3-carbamothioyl-N-pyridin-4-ylbenzamide
CID 24700505
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide (CID 39954034) is N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide is O=C(Nc1ccncc1)c1cccc(Nc2ncccn2)c1.
What is the InChIKey of N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide?
The InChIKey is MREWVLLLSWXVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c22-15(20-13-5-9-17-10-6-13)12-3-1-4-14(11-12)21-16-18-7-2-8-19-16/h1-11H,(H,17,20,22)(H,18,19,21).
What are the key properties of N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide?
N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide has a molecular weight of 291.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 39954034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).