3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide

C14H18ClN5O — CID 79231418

IUPAC3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C14H18ClN5O/c1-8-10(9(2)20(4)19-8)7-17-14(21)13-11(15)5-6-12(16-3)18-13/h5-6H,7H2,1-4H3,(H,16,18)(H,17,21)
InChIKeyUZCBPWZGYFRRTE-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.06
Rot. Bonds4

About 3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide

3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 79231418) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
PubChem CID79231418
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C14H18ClN5O/c1-8-10(9(2)20(4)19-8)7-17-14(21)13-11(15)5-6-12(16-3)18-13/h5-6H,7H2,1-4H3,(H,16,18)(H,17,21)
InChIKeyUZCBPWZGYFRRTE-UHFFFAOYSA-N
XLogP2.06
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide (CID 79231418) is 3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)NCc2c(C)nn(C)c2C)n1.
What is the InChIKey of 3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is UZCBPWZGYFRRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-8-10(9(2)20(4)19-8)7-17-14(21)13-11(15)5-6-12(16-3)18-13/h5-6H,7H2,1-4H3,(H,16,18)(H,17,21).
What are the key properties of 3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide?
3-chloro-6-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 307.79 g/mol, XLogP of 2.06, 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-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 79231418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).