N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide

C18H19N5O — CID 109298766

IUPACN-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccnc(NC3CCCCC3)n2)c1
InChIInChI=1S/C18H19N5O/c19-12-13-5-4-8-15(11-13)21-17(24)16-9-10-20-18(23-16)22-14-6-2-1-3-7-14/h4-5,8-11,14H,1-3,6-7H2,(H,21,24)(H,20,22,23)
InChIKeySLUNKJWOTDWPGG-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.35
Rot. Bonds4

About N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide

N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide (PubChem CID 109298766) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
PubChem CID109298766
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccnc(NC3CCCCC3)n2)c1
InChIInChI=1S/C18H19N5O/c19-12-13-5-4-8-15(11-13)21-17(24)16-9-10-20-18(23-16)22-14-6-2-1-3-7-14/h4-5,8-11,14H,1-3,6-7H2,(H,21,24)(H,20,22,23)
InChIKeySLUNKJWOTDWPGG-UHFFFAOYSA-N
XLogP3.35
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311519
N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297953
N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298721
N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109354032
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018
N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
N-(3-cyanophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226989
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
N-(3-cyanophenyl)-2-[2,6-di(propan-2-yl)anilino]pyrimidine-4-carboxamide
CID 109318587
N-(3-cyanophenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316121
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109317340

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide (CID 109298766) is N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide is N#Cc1cccc(NC(=O)c2ccnc(NC3CCCCC3)n2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide?
The InChIKey is SLUNKJWOTDWPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c19-12-13-5-4-8-15(11-13)21-17(24)16-9-10-20-18(23-16)22-14-6-2-1-3-7-14/h4-5,8-11,14H,1-3,6-7H2,(H,21,24)(H,20,22,23).
What are the key properties of N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide?
N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109298766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).