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

C19H15N5O — CID 109346612

IUPAC6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc(NCc3ccccc3)ncn2)c1
InChIInChI=1S/C19H15N5O/c20-11-15-7-4-8-16(9-15)24-19(25)17-10-18(23-13-22-17)21-12-14-5-2-1-3-6-14/h1-10,13H,12H2,(H,24,25)(H,21,22,23)
InChIKeyODKSNVUZGMJJCH-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.21
Rot. Bonds5

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

6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide (PubChem CID 109346612) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
PubChem CID109346612
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc(NCc3ccccc3)ncn2)c1
InChIInChI=1S/C19H15N5O/c20-11-15-7-4-8-16(9-15)24-19(25)17-10-18(23-13-22-17)21-12-14-5-2-1-3-6-14/h1-10,13H,12H2,(H,24,25)(H,21,22,23)
InChIKeyODKSNVUZGMJJCH-UHFFFAOYSA-N
XLogP3.21
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350268
6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109117831
6-(1,3-benzodioxol-5-ylmethylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109349304
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
6-(tert-butylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109353836
N-(3-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344224
N-(3-cyanophenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351078
N-(4-cyanophenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347135
6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697
N-(3-cyanophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109353666
6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109359458
N-(4-cyanophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353572

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide (CID 109346612) is 6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide is N#Cc1cccc(NC(=O)c2cc(NCc3ccccc3)ncn2)c1.
What is the InChIKey of 6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
The InChIKey is ODKSNVUZGMJJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c20-11-15-7-4-8-16(9-15)24-19(25)17-10-18(23-13-22-17)21-12-14-5-2-1-3-6-14/h1-10,13H,12H2,(H,24,25)(H,21,22,23).
What are the key properties of 6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide?
6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).