3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide

C15H20ClN5O — CID 119431879

IUPAC3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide
SMILESCNCCCNC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl
InChIInChI=1S/C15H20ClN5O/c1-10-9-11(2)21(20-10)13-6-5-12(16)14(19-13)15(22)18-8-4-7-17-3/h5-6,9,17H,4,7-8H2,1-3H3,(H,18,22)
InChIKeyRYXIBYFUURLALG-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.88
Rot. Bonds6

About 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide (PubChem CID 119431879) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide
PubChem CID119431879
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide
SMILESCNCCCNC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl
InChIInChI=1S/C15H20ClN5O/c1-10-9-11(2)21(20-10)13-6-5-12(16)14(19-13)15(22)18-8-4-7-17-3/h5-6,9,17H,4,7-8H2,1-3H3,(H,18,22)
InChIKeyRYXIBYFUURLALG-UHFFFAOYSA-N
XLogP1.88
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 78785341
3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 119620338
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-naphthalen-2-yloxyethyl)pyridine-2-carboxamide
CID 112800686
3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55370036
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78816211
N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
CID 119641830
3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55348261
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 134000627
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide
CID 112768765
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55349924
(2S)-2-[[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]amino]hexanoic acid
CID 120614853
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide
CID 2405934

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide (CID 119431879) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide is CNCCCNC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl.
What is the InChIKey of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide?
The InChIKey is RYXIBYFUURLALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-10-9-11(2)21(20-10)13-6-5-12(16)14(19-13)15(22)18-8-4-7-17-3/h5-6,9,17H,4,7-8H2,1-3H3,(H,18,22).
What are the key properties of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide?
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 119431879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).