N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide

C20H23N5O — CID 109332917

IUPACN-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C#N)nc(NC2CCCCCC2)n1
InChIInChI=1S/C20H23N5O/c1-14-12-18(19(26)24-17-11-7-6-8-15(17)13-21)25-20(22-14)23-16-9-4-2-3-5-10-16/h6-8,11-12,16H,2-5,9-10H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyKHRHOQCZRYHBCQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.04
Rot. Bonds4

About N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide

N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109332917) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109332917
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C#N)nc(NC2CCCCCC2)n1
InChIInChI=1S/C20H23N5O/c1-14-12-18(19(26)24-17-11-7-6-8-15(17)13-21)25-20(22-14)23-16-9-4-2-3-5-10-16/h6-8,11-12,16H,2-5,9-10H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyKHRHOQCZRYHBCQ-UHFFFAOYSA-N
XLogP4.04
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322701
2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338178
2-(cycloheptylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109332885
2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322031
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322021
N-(4-acetamidophenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322742
N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336209
N-(4-acetylphenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322740
N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332901
N-(2-cyanophenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337446
N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330431
N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336635

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide (CID 109332917) is N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2C#N)nc(NC2CCCCCC2)n1.
What is the InChIKey of N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is KHRHOQCZRYHBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-12-18(19(26)24-17-11-7-6-8-15(17)13-21)25-20(22-14)23-16-9-4-2-3-5-10-16/h6-8,11-12,16H,2-5,9-10H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).