4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide

C17H15N5O — CID 83567447

IUPAC4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESNc1nc(-c2ccccn2)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H15N5O/c18-15-13(17(23)21-10-12-6-2-1-3-7-12)11-20-16(22-15)14-8-4-5-9-19-14/h1-9,11H,10H2,(H,21,23)(H2,18,20,22)
InChIKeyAVCXAVNTKLZGJX-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.05
Rot. Bonds4

About 4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide

4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 83567447) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID83567447
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide
SMILESNc1nc(-c2ccccn2)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H15N5O/c18-15-13(17(23)21-10-12-6-2-1-3-7-12)11-20-16(22-15)14-8-4-5-9-19-14/h1-9,11H,10H2,(H,21,23)(H2,18,20,22)
InChIKeyAVCXAVNTKLZGJX-UHFFFAOYSA-N
XLogP2.05
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-propan-2-yl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 83567425
4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53143942
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
2-amino-N-benzylquinoline-3-carboxamide
CID 14177193
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
CID 83567065
3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258
3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42537666
4-amino-2-[benzyl(propan-2-yl)amino]-N-[(4-ethoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 53336289

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide (CID 83567447) is 4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide is Nc1nc(-c2ccccn2)ncc1C(=O)NCc1ccccc1.
What is the InChIKey of 4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is AVCXAVNTKLZGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-15-13(17(23)21-10-12-6-2-1-3-7-12)11-20-16(22-15)14-8-4-5-9-19-14/h1-9,11H,10H2,(H,21,23)(H2,18,20,22).
What are the key properties of 4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide?
4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-2-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).