N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide

C18H21ClN4O — CID 109263215

IUPACN-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C18H21ClN4O/c19-14-6-5-9-16(10-14)22-17(24)13-11-20-18(21-12-13)23-15-7-3-1-2-4-8-15/h5-6,9-12,15H,1-4,7-8H2,(H,22,24)(H,20,21,23)
InChIKeyMDBXNUKHGPSATQ-UHFFFAOYSA-N
MW344.85 g/mol
LogP4.52
Rot. Bonds4

About N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide

N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide (PubChem CID 109263215) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
PubChem CID109263215
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C18H21ClN4O/c19-14-6-5-9-16(10-14)22-17(24)13-11-20-18(21-12-13)23-15-7-3-1-2-4-8-15/h5-6,9-12,15H,1-4,7-8H2,(H,22,24)(H,20,21,23)
InChIKeyMDBXNUKHGPSATQ-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249827
N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297953
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109250627
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
3-N-(3-chlorophenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103090
3-N-(3-chlorophenyl)-5-N-cyclopentylpyridine-3,5-dicarboxamide
CID 109102765
methyl 3-[[2-(cyclopropylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109247601
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109263206
N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250566

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide (CID 109263215) is N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide is O=C(Nc1cccc(Cl)c1)c1cnc(NC2CCCCCC2)nc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide?
The InChIKey is MDBXNUKHGPSATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-14-6-5-9-16(10-14)22-17(24)13-11-20-18(21-12-13)23-15-7-3-1-2-4-8-15/h5-6,9-12,15H,1-4,7-8H2,(H,22,24)(H,20,21,23).
What are the key properties of N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide?
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).