4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide

C13H17N5O — CID 106048173

IUPAC4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCc2cnn(C)c2C)ccn1
InChIInChI=1S/C13H17N5O/c1-9-10(8-17-18(9)3)7-16-11-4-5-15-12(6-11)13(19)14-2/h4-6,8H,7H2,1-3H3,(H,14,19)(H,15,16)
InChIKeyISLJQAHHSVVUJI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.10
Rot. Bonds4

About 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide

4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide (PubChem CID 106048173) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide
PubChem CID106048173
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCc2cnn(C)c2C)ccn1
InChIInChI=1S/C13H17N5O/c1-9-10(8-17-18(9)3)7-16-11-4-5-15-12(6-11)13(19)14-2/h4-6,8H,7H2,1-3H3,(H,14,19)(H,15,16)
InChIKeyISLJQAHHSVVUJI-UHFFFAOYSA-N
XLogP1.10
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-hydroxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 114332705
4-[(2-ethylphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 64695920
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine
CID 106048244
N-methyl-4-[(5-methylpyrazin-2-yl)methylamino]pyridine-2-carboxamide
CID 62845761
4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 60874908
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-fluorobenzoic acid
CID 79578811
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 106042723
N-methyl-4-[2-(2-methylphenyl)ethylamino]pyridine-2-carboxamide
CID 112722856
2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 61264748
methyl 2-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoate
CID 106039348
4-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 167797791

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide (CID 106048173) is 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(NCc2cnn(C)c2C)ccn1.
What is the InChIKey of 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is ISLJQAHHSVVUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-10(8-17-18(9)3)7-16-11-4-5-15-12(6-11)13(19)14-2/h4-6,8H,7H2,1-3H3,(H,14,19)(H,15,16).
What are the key properties of 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide?
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 106048173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).