2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide

C14H18ClN5O — CID 115888738

IUPAC2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)c1cc(Cl)nc(NC)c1
InChIInChI=1S/C14H18ClN5O/c1-4-11-10(8-20(3)19-11)7-17-14(21)9-5-12(15)18-13(6-9)16-2/h5-6,8H,4,7H2,1-3H3,(H,16,18)(H,17,21)
InChIKeyJJWDSUBVHLCGRQ-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.00
Rot. Bonds5

About 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide (PubChem CID 115888738) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide
PubChem CID115888738
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)c1cc(Cl)nc(NC)c1
InChIInChI=1S/C14H18ClN5O/c1-4-11-10(8-20(3)19-11)7-17-14(21)9-5-12(15)18-13(6-9)16-2/h5-6,8H,4,7H2,1-3H3,(H,16,18)(H,17,21)
InChIKeyJJWDSUBVHLCGRQ-UHFFFAOYSA-N
XLogP2.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.00
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

5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 115888256
2,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103898822
2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 115888757
2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide
CID 113234494
4-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988977
5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115887129
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 115887135
2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 62178675
2-amino-4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988889
6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112549981
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705685

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide (CID 115888738) is 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide is CCc1nn(C)cc1CNC(=O)c1cc(Cl)nc(NC)c1.
What is the InChIKey of 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is JJWDSUBVHLCGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-4-11-10(8-20(3)19-11)7-17-14(21)9-5-12(15)18-13(6-9)16-2/h5-6,8H,4,7H2,1-3H3,(H,16,18)(H,17,21).
What are the key properties of 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 307.79 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 115888738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).