5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide

C11H12ClN5O — CID 114923162

IUPAC5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2cn[nH]c2)c(Cl)cn1
InChIInChI=1S/C11H12ClN5O/c1-13-10-2-8(9(12)6-14-10)11(18)15-3-7-4-16-17-5-7/h2,4-6H,3H2,1H3,(H,13,14)(H,15,18)(H,16,17)
InChIKeyIEJCVHCHGCOIFV-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.43
Rot. Bonds4

About 5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide

5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 114923162) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
PubChem CID114923162
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2cn[nH]c2)c(Cl)cn1
InChIInChI=1S/C11H12ClN5O/c1-13-10-2-8(9(12)6-14-10)11(18)15-3-7-4-16-17-5-7/h2,4-6H,3H2,1H3,(H,13,14)(H,15,18)(H,16,17)
InChIKeyIEJCVHCHGCOIFV-UHFFFAOYSA-N
XLogP1.43
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 62178514
5-chloro-N-[(3-fluorophenyl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 114922058
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 114922352
5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921720
5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924242
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61375925
5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114924109
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
CID 106049955
5-chloro-2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-4-carboxamide
CID 114922853
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924347

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide (CID 114923162) is 5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide is CNc1cc(C(=O)NCc2cn[nH]c2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is IEJCVHCHGCOIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-13-10-2-8(9(12)6-14-10)11(18)15-3-7-4-16-17-5-7/h2,4-6H,3H2,1H3,(H,13,14)(H,15,18)(H,16,17).
What are the key properties of 5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide?
5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114923162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).