6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide

C16H13N5O — CID 167762854

IUPAC6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C16H13N5O/c22-16(21-13-6-8-17-9-7-13)14-10-15(19-11-18-14)20-12-4-2-1-3-5-12/h1-11H,(H,17,21,22)(H,18,19,20)
InChIKeyIPODZTNNDHNDPG-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.87
Rot. Bonds4

About 6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide

6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide (PubChem CID 167762854) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide
PubChem CID167762854
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C16H13N5O/c22-16(21-13-6-8-17-9-7-13)14-10-15(19-11-18-14)20-12-4-2-1-3-5-12/h1-11H,(H,17,21,22)(H,18,19,20)
InChIKeyIPODZTNNDHNDPG-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

6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
CID 109355732
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355806
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109355856
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109355759
methyl 3-[[6-(phenylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109355850
ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate
CID 109355772

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide (CID 167762854) is 6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide is O=C(Nc1ccncc1)c1cc(Nc2ccccc2)ncn1.
What is the InChIKey of 6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide?
The InChIKey is IPODZTNNDHNDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c22-16(21-13-6-8-17-9-7-13)14-10-15(19-11-18-14)20-12-4-2-1-3-5-12/h1-11H,(H,17,21,22)(H,18,19,20).
What are the key properties of 6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide?
6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide 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 6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 167762854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).