3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide

C12H14ClN5O — CID 55206512

IUPAC3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCc2ccnn2C)n1
InChIInChI=1S/C12H14ClN5O/c1-14-10-4-3-9(13)11(17-10)12(19)15-7-8-5-6-16-18(8)2/h3-6H,7H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyFQZHRFHYLKBLJN-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.44
Rot. Bonds4

About 3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide

3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 55206512) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
PubChem CID55206512
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCc2ccnn2C)n1
InChIInChI=1S/C12H14ClN5O/c1-14-10-4-3-9(13)11(17-10)12(19)15-7-8-5-6-16-18(8)2/h3-6H,7H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyFQZHRFHYLKBLJN-UHFFFAOYSA-N
XLogP1.44
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 103011360
3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 79231418
3-chloro-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62166943
3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 62181201
3-chloro-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62187059
2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-5-nitrobenzamide
CID 63302246
4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 82794631
3-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(methylamino)pyridine-2-carboxamide
CID 106376888
5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 114923526
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
4-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19477268
4-amino-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 63304317

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide (CID 55206512) is 3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)NCc2ccnn2C)n1.
What is the InChIKey of 3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is FQZHRFHYLKBLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-14-10-4-3-9(13)11(17-10)12(19)15-7-8-5-6-16-18(8)2/h3-6H,7H2,1-2H3,(H,14,17)(H,15,19).
What are the key properties of 3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide?
3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(methylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 55206512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).