6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide

C12H15N5O — CID 112671950

IUPAC6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cccc(N)n1
InChIInChI=1S/C12H15N5O/c1-8-9(7-17(2)16-8)6-14-12(18)10-4-3-5-11(13)15-10/h3-5,7H,6H2,1-2H3,(H2,13,15)(H,14,18)
InChIKeyHZEBBQSCPGZFOQ-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.64
Rot. Bonds3

About 6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide

6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 112671950) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
PubChem CID112671950
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1cccc(N)n1
InChIInChI=1S/C12H15N5O/c1-8-9(7-17(2)16-8)6-14-12(18)10-4-3-5-11(13)15-10/h3-5,7H,6H2,1-2H3,(H2,13,15)(H,14,18)
InChIKeyHZEBBQSCPGZFOQ-UHFFFAOYSA-N
XLogP0.64
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 112668170
6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112671966
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279610
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112669431
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 115989224
2-amino-5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112670930
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide
CID 107075896
6-amino-N-benzylpyridine-2-carboxamide
CID 62240949
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 112671836
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 4862534

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide (CID 112671950) is 6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide is Cc1nn(C)cc1CNC(=O)c1cccc(N)n1.
What is the InChIKey of 6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is HZEBBQSCPGZFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-9(7-17(2)16-8)6-14-12(18)10-4-3-5-11(13)15-10/h3-5,7H,6H2,1-2H3,(H2,13,15)(H,14,18).
What are the key properties of 6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 112671950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).