5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide

C16H14ClN5O — CID 133277831

IUPAC5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCc2ccn(-c3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C16H14ClN5O/c17-14-8-11(15(18)23)9-19-16(14)20-10-12-6-7-22(21-12)13-4-2-1-3-5-13/h1-9H,10H2,(H2,18,23)(H,19,20)
InChIKeyUSSBKKHJJPDJQY-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.63
Rot. Bonds5

About 5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide

5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide (PubChem CID 133277831) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide
PubChem CID133277831
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NCc2ccn(-c3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C16H14ClN5O/c17-14-8-11(15(18)23)9-19-16(14)20-10-12-6-7-22(21-12)13-4-2-1-3-5-13/h1-9H,10H2,(H2,18,23)(H,19,20)
InChIKeyUSSBKKHJJPDJQY-UHFFFAOYSA-N
XLogP2.63
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 133449160
[5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587234
5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide
CID 47059518
5-chloro-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridine-3-carboxamide
CID 56816532
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133395258
4-chloro-N-[(1-phenylpyrazol-3-yl)methyl]aniline
CID 62884987
4-[(5-carbamoyl-3-chloro-2-pyridinyl)amino]butanoic acid
CID 122058630
2-chloro-4-methyl-N-[(1-phenylpyrazol-3-yl)methyl]aniline
CID 62887085
5-chloro-6-[[(2S,3R)-2-phenyloxan-3-yl]methylamino]pyridine-3-carboxamide
CID 95141905
5-chloro-6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 133444908
2-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 79790094

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide (CID 133277831) is 5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide is NC(=O)c1cnc(NCc2ccn(-c3ccccc3)n2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is USSBKKHJJPDJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-14-8-11(15(18)23)9-19-16(14)20-10-12-6-7-22(21-12)13-4-2-1-3-5-13/h1-9H,10H2,(H2,18,23)(H,19,20).
What are the key properties of 5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide?
5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 327.78 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-phenylpyrazol-3-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133277831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).