2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide

C19H15N5O — CID 109334617

IUPAC2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C#N)c2)nc(Nc2ccccc2)n1
InChIInChI=1S/C19H15N5O/c1-13-10-17(18(25)22-16-9-5-6-14(11-16)12-20)24-19(21-13)23-15-7-3-2-4-8-15/h2-11H,1H3,(H,22,25)(H,21,23,24)
InChIKeyCNRORURHMUNENE-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.65
Rot. Bonds4

About 2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide

2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109334617) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109334617
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C#N)c2)nc(Nc2ccccc2)n1
InChIInChI=1S/C19H15N5O/c1-13-10-17(18(25)22-16-9-5-6-14(11-16)12-20)24-19(21-13)23-15-7-3-2-4-8-15/h2-11H,1H3,(H,22,25)(H,21,23,24)
InChIKeyCNRORURHMUNENE-UHFFFAOYSA-N
XLogP3.65
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334618
2-(3-cyanoanilino)-6-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109337788
2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337603
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337349
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109338205
2-(3-cyanoanilino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336338
2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338197
2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336643
N-(3-chloro-2-methylphenyl)-2-(3-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109337220
2-(3-acetylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337811
N-(3-cyanophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100779207

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide (CID 109334617) is 2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(C#N)c2)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is CNRORURHMUNENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-13-10-17(18(25)22-16-9-5-6-14(11-16)12-20)24-19(21-13)23-15-7-3-2-4-8-15/h2-11H,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide?
2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109334617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).