5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide

C13H16ClN5O — CID 106049955

IUPAC5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2cnn(C)c2C)c(Cl)cn1
InChIInChI=1S/C13H16ClN5O/c1-8-9(6-18-19(8)3)5-17-13(20)10-4-12(15-2)16-7-11(10)14/h4,6-7H,5H2,1-3H3,(H,15,16)(H,17,20)
InChIKeyGVELJJZIOHKRRP-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.75
Rot. Bonds4

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

5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 106049955) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID106049955
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCc2cnn(C)c2C)c(Cl)cn1
InChIInChI=1S/C13H16ClN5O/c1-8-9(6-18-19(8)3)5-17-13(20)10-4-12(15-2)16-7-11(10)14/h4,6-7H,5H2,1-3H3,(H,15,16)(H,17,20)
InChIKeyGVELJJZIOHKRRP-UHFFFAOYSA-N
XLogP1.75
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 106034629
2,4-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 19282119
1-(4,5-dichloro-2-pyridinyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 100666319
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)benzamide
CID 106049975
2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-nitrobenzamide
CID 831767
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 106049939
2,6-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103862411
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-4-carboxamide
CID 114922853
5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114924109
5-chloro-N-(furan-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921720
5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 114923162

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide (CID 106049955) is 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCc2cnn(C)c2C)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is GVELJJZIOHKRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-8-9(6-18-19(8)3)5-17-13(20)10-4-12(15-2)16-7-11(10)14/h4,6-7H,5H2,1-3H3,(H,15,16)(H,17,20).
What are the key properties of 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 293.76 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 106049955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).