5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide

C12H16N6O — CID 112668337

IUPAC5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
SMILESCc1nn(C)cc1CNc1ncc(N)cc1C(N)=O
InChIInChI=1S/C12H16N6O/c1-7-8(6-18(2)17-7)4-15-12-10(11(14)19)3-9(13)5-16-12/h3,5-6H,4,13H2,1-2H3,(H2,14,19)(H,15,16)
InChIKeyMUWFSZAZKOFGCG-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.42
Rot. Bonds4

About 5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide

5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide (PubChem CID 112668337) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
PubChem CID112668337
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
SMILESCc1nn(C)cc1CNc1ncc(N)cc1C(N)=O
InChIInChI=1S/C12H16N6O/c1-7-8(6-18(2)17-7)4-15-12-10(11(14)19)3-9(13)5-16-12/h3,5-6H,4,13H2,1-2H3,(H2,14,19)(H,15,16)
InChIKeyMUWFSZAZKOFGCG-UHFFFAOYSA-N
XLogP0.42
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 112671919
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 61358389
2-chloro-5-[(1,3-dimethylpyrazol-4-yl)methylamino]benzamide
CID 83086550
5-amino-2-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 61357803
5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide
CID 62057948
3-bromo-2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylpyridine-2,5-diamine
CID 104507128
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide
CID 114536234
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoropyridin-2-amine
CID 112676039
3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 113413721
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine
CID 112670727
2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-nitropyridine-3-carboxamide
CID 133449076

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide (CID 112668337) is 5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide is Cc1nn(C)cc1CNc1ncc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is MUWFSZAZKOFGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-7-8(6-18(2)17-7)4-15-12-10(11(14)19)3-9(13)5-16-12/h3,5-6H,4,13H2,1-2H3,(H2,14,19)(H,15,16).
What are the key properties of 5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide?
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 112668337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).