N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide

C19H24N4O — CID 109354049

IUPACN-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NC3CCCCCC3)ncn2)c1
InChIInChI=1S/C19H24N4O/c1-14-7-6-10-16(11-14)22-18-12-17(20-13-21-18)19(24)23-15-8-4-2-3-5-9-15/h6-7,10-13,15H,2-5,8-9H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyNKBPSGQSVYAFDZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.98
Rot. Bonds4

About N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide

N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109354049) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109354049
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NC3CCCCCC3)ncn2)c1
InChIInChI=1S/C19H24N4O/c1-14-7-6-10-16(11-14)22-18-12-17(20-13-21-18)19(24)23-15-8-4-2-3-5-9-15/h6-7,10-13,15H,2-5,8-9H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyNKBPSGQSVYAFDZ-UHFFFAOYSA-N
XLogP3.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109342093
6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341488
methyl 3-[[6-(cyclopentylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109341519
N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109339315
N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109341985
6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341498
N-cyclopropyl-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109339316
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109341510
methyl 4-[[6-(cyclohexylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109342097

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide (CID 109354049) is N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide is Cc1cccc(Nc2cc(C(=O)NC3CCCCCC3)ncn2)c1.
What is the InChIKey of N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is NKBPSGQSVYAFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-7-6-10-16(11-14)22-18-12-17(20-13-21-18)19(24)23-15-8-4-2-3-5-9-15/h6-7,10-13,15H,2-5,8-9H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109354049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).