2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide

C12H14ClN5O — CID 62178675

IUPAC2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCn2cccn2)cc(Cl)n1
InChIInChI=1S/C12H14ClN5O/c1-14-11-8-9(7-10(13)17-11)12(19)15-4-6-18-5-2-3-16-18/h2-3,5,7-8H,4,6H2,1H3,(H,14,17)(H,15,19)
InChIKeyAGKCKFUCTCTOHS-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.40
Rot. Bonds5

About 2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide

2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide (PubChem CID 62178675) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
PubChem CID62178675
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCn2cccn2)cc(Cl)n1
InChIInChI=1S/C12H14ClN5O/c1-14-11-8-9(7-10(13)17-11)12(19)15-4-6-18-5-2-3-16-18/h2-3,5,7-8H,4,6H2,1H3,(H,14,17)(H,15,19)
InChIKeyAGKCKFUCTCTOHS-UHFFFAOYSA-N
XLogP1.40
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
2-chloro-N-(4-imidazol-1-ylbutyl)-6-(methylamino)pyridine-4-carboxamide
CID 62173721
N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62179327
N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 115620351
2-chloro-6-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 62171208
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
3,4-dihydroxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 103956702
2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide
CID 113234494
2-chloro-6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62167624
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62177585
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111115777

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide (CID 62178675) is 2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide is CNc1cc(C(=O)NCCn2cccn2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide?
The InChIKey is AGKCKFUCTCTOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-14-11-8-9(7-10(13)17-11)12(19)15-4-6-18-5-2-3-16-18/h2-3,5,7-8H,4,6H2,1H3,(H,14,17)(H,15,19).
What are the key properties of 2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide?
2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62178675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).