2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide

C18H21ClN4O — CID 109263115

IUPAC2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C18H21ClN4O/c19-14-6-5-9-16(10-14)23-18-20-11-13(12-21-18)17(24)22-15-7-3-1-2-4-8-15/h5-6,9-12,15H,1-4,7-8H2,(H,22,24)(H,20,21,23)
InChIKeyJJAICGKBCWJOSV-UHFFFAOYSA-N
MW344.85 g/mol
LogP4.33
Rot. Bonds4

About 2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide

2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide (PubChem CID 109263115) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
PubChem CID109263115
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1cnc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C18H21ClN4O/c19-14-6-5-9-16(10-14)23-18-20-11-13(12-21-18)17(24)22-15-7-3-1-2-4-8-15/h5-6,9-12,15H,1-4,7-8H2,(H,22,24)(H,20,21,23)
InChIKeyJJAICGKBCWJOSV-UHFFFAOYSA-N
XLogP4.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109263138
N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249705
N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109250442
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109263215
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097
N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109249710
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109247436

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide (CID 109263115) is 2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide is O=C(NC1CCCCCC1)c1cnc(Nc2cccc(Cl)c2)nc1.
What is the InChIKey of 2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide?
The InChIKey is JJAICGKBCWJOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-14-6-5-9-16(10-14)23-18-20-11-13(12-21-18)17(24)22-15-7-3-1-2-4-8-15/h5-6,9-12,15H,1-4,7-8H2,(H,22,24)(H,20,21,23).
What are the key properties of 2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide?
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide is sourced from PubChem (CID 109263115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).