6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide

C22H25N5O — CID 109373956

IUPAC6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCCCC2)cc(C(=O)Nc2cccc3cccnc23)n1
InChIInChI=1S/C22H25N5O/c1-15-24-19(14-20(25-15)26-17-10-4-2-3-5-11-17)22(28)27-18-12-6-8-16-9-7-13-23-21(16)18/h6-9,12-14,17H,2-5,10-11H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyKLQUUNHXRXGTCG-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.72
Rot. Bonds4

About 6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide

6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide (PubChem CID 109373956) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
PubChem CID109373956
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCCCC2)cc(C(=O)Nc2cccc3cccnc23)n1
InChIInChI=1S/C22H25N5O/c1-15-24-19(14-20(25-15)26-17-10-4-2-3-5-11-17)22(28)27-18-12-6-8-16-9-7-13-23-21(16)18/h6-9,12-14,17H,2-5,10-11H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyKLQUUNHXRXGTCG-UHFFFAOYSA-N
XLogP4.72
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363233
2-methyl-6-piperidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109363589
2-methyl-6-pyrrolidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109362855
2-methyl-6-(3-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112848249
2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109361326
6-(cyclohexylamino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363928
2-methyl-6-(pyridin-4-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109371305
2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846784
N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363869
N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide
CID 109363196
N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363896
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847

Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide (CID 109373956) is 6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide is Cc1nc(NC2CCCCCC2)cc(C(=O)Nc2cccc3cccnc23)n1.
What is the InChIKey of 6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
The InChIKey is KLQUUNHXRXGTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-24-19(14-20(25-15)26-17-10-4-2-3-5-11-17)22(28)27-18-12-6-8-16-9-7-13-23-21(16)18/h6-9,12-14,17H,2-5,10-11H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of 6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide?
6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).