4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide

C12H15N5O — CID 43543672

IUPAC4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCCn1cc(Nc2ccnc(C(=O)NC)c2)cn1
InChIInChI=1S/C12H15N5O/c1-3-17-8-10(7-15-17)16-9-4-5-14-11(6-9)12(18)13-2/h4-8H,3H2,1-2H3,(H,13,18)(H,14,16)
InChIKeyJJGVCKIMWKQXAS-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.40
Rot. Bonds4

About 4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide

4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 43543672) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide
PubChem CID43543672
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCCn1cc(Nc2ccnc(C(=O)NC)c2)cn1
InChIInChI=1S/C12H15N5O/c1-3-17-8-10(7-15-17)16-9-4-5-14-11(6-9)12(18)13-2/h4-8H,3H2,1-2H3,(H,13,18)(H,14,16)
InChIKeyJJGVCKIMWKQXAS-UHFFFAOYSA-N
XLogP1.40
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide
CID 25128735
4-[3-(aminomethyl)anilino]-N-methylpyridine-2-carboxamide
CID 55241023
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35277482
2-bromo-4-[(1-ethylpyrazol-4-yl)amino]benzonitrile
CID 107275952
methyl 4-[(1-ethylpyrazol-4-yl)amino]pyrimidine-2-carboxylate
CID 66285222
4-(2,2-dimethylhydrazinyl)-N-methylpyridine-2-carboxamide
CID 83025450
N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 62665007
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylpyridine-2-carboxamide
CID 106048173
N-methyl-4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 60703936
4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid
CID 43517798
4-[(2-amino-2-ethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 113283242

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide (CID 43543672) is 4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide is CCn1cc(Nc2ccnc(C(=O)NC)c2)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is JJGVCKIMWKQXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-17-8-10(7-15-17)16-9-4-5-14-11(6-9)12(18)13-2/h4-8H,3H2,1-2H3,(H,13,18)(H,14,16).
What are the key properties of 4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide?
4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 43543672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).