N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide

C19H21N5O — CID 109311519

IUPACN-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(NC3CCCCCC3)n2)cc1
InChIInChI=1S/C19H21N5O/c20-13-14-7-9-16(10-8-14)22-18(25)17-11-12-21-19(24-17)23-15-5-3-1-2-4-6-15/h7-12,15H,1-6H2,(H,22,25)(H,21,23,24)
InChIKeyBNBUBMTZLGCMBI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.74
Rot. Bonds4

About N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide

N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide (PubChem CID 109311519) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
PubChem CID109311519
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(NC3CCCCCC3)n2)cc1
InChIInChI=1S/C19H21N5O/c20-13-14-7-9-16(10-8-14)22-18(25)17-11-12-21-19(24-17)23-15-5-3-1-2-4-6-15/h7-12,15H,1-6H2,(H,22,25)(H,21,23,24)
InChIKeyBNBUBMTZLGCMBI-UHFFFAOYSA-N
XLogP3.74
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298766
N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
2-(cycloheptylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109311475
N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250637
2-(cyclohexylamino)-N-[4-(diethylamino)phenyl]pyrimidine-4-carboxamide
CID 109298731
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018
2-(cyclopentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109297996
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
N-(4-cyanophenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319833
N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109318737

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide (CID 109311519) is N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide is N#Cc1ccc(NC(=O)c2ccnc(NC3CCCCCC3)n2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide?
The InChIKey is BNBUBMTZLGCMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c20-13-14-7-9-16(10-8-14)22-18(25)17-11-12-21-19(24-17)23-15-5-3-1-2-4-6-15/h7-12,15H,1-6H2,(H,22,25)(H,21,23,24).
What are the key properties of N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide?
N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).