N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide

C19H21N5O — CID 109354032

IUPACN-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc(NC3CCCCCC3)ncn2)c1
InChIInChI=1S/C19H21N5O/c20-12-14-6-5-9-16(10-14)24-19(25)17-11-18(22-13-21-17)23-15-7-3-1-2-4-8-15/h5-6,9-11,13,15H,1-4,7-8H2,(H,24,25)(H,21,22,23)
InChIKeyLLGJZQMRCBSJQO-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.74
Rot. Bonds4

About N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide

N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide (PubChem CID 109354032) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide
PubChem CID109354032
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc(NC3CCCCCC3)ncn2)c1
InChIInChI=1S/C19H21N5O/c20-12-14-6-5-9-16(10-14)24-19(25)17-11-18(22-13-21-17)23-15-7-3-1-2-4-8-15/h5-6,9-11,13,15H,1-4,7-8H2,(H,24,25)(H,21,22,23)
InChIKeyLLGJZQMRCBSJQO-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
6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109353836
N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
N-(3-cyanophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226989
6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109359458
6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109346612
N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350268
6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109341918
N-(3-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344224
N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341309
6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109341935
3-(cyclododecylamino)benzonitrile
CID 63422717

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide (CID 109354032) is N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide is N#Cc1cccc(NC(=O)c2cc(NC3CCCCCC3)ncn2)c1.
What is the InChIKey of N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide?
The InChIKey is LLGJZQMRCBSJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c20-12-14-6-5-9-16(10-14)24-19(25)17-11-18(22-13-21-17)23-15-7-3-1-2-4-8-15/h5-6,9-11,13,15H,1-4,7-8H2,(H,24,25)(H,21,22,23).
What are the key properties of N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide?
N-(3-cyanophenyl)-6-(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-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109354032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).