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

C20H28ClN5O — CID 119620338

IUPAC3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCNC3CCCCCC3)n2)n1
InChIInChI=1S/C20H28ClN5O/c1-14-13-15(2)26(25-14)18-10-9-17(21)19(24-18)20(27)23-12-11-22-16-7-5-3-4-6-8-16/h9-10,13,16,22H,3-8,11-12H2,1-2H3,(H,23,27)
InChIKeyVVGLBGMQZHTDJQ-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.58
Rot. Bonds6

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

3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (PubChem CID 119620338) has the molecular formula C20H28ClN5O and a molecular weight of 389.93 g/mol. Its IUPAC name is 3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
PubChem CID119620338
Molecular FormulaC20H28ClN5O
Molecular Weight389.93 g/mol
Exact Mass389.20
IUPAC Name3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCNC3CCCCCC3)n2)n1
InChIInChI=1S/C20H28ClN5O/c1-14-13-15(2)26(25-14)18-10-9-17(21)19(24-18)20(27)23-12-11-22-16-7-5-3-4-6-8-16/h9-10,13,16,22H,3-8,11-12H2,1-2H3,(H,23,27)
InChIKeyVVGLBGMQZHTDJQ-UHFFFAOYSA-N
XLogP3.58
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.58
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-[3-(methylamino)propyl]pyridine-2-carboxamide
CID 119431879
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 112826428
3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55370036
N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784946
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 78785341
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-naphthalen-2-yloxyethyl)pyridine-2-carboxamide
CID 112800686
N-[2-(aminomethyl)cyclohexyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
CID 120615887
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridine-2-carboxamide
CID 78901571
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78816211
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 78866642
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-morpholin-4-ylpyridine-2-carboxamide
CID 2405934
N-(2-amino-2-ethylbutyl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
CID 119641830

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (CID 119620338) is 3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCNC3CCCCCC3)n2)n1.
What is the InChIKey of 3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
The InChIKey is VVGLBGMQZHTDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O/c1-14-13-15(2)26(25-14)18-10-9-17(21)19(24-18)20(27)23-12-11-22-16-7-5-3-4-6-8-16/h9-10,13,16,22H,3-8,11-12H2,1-2H3,(H,23,27).
What are the key properties of 3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?
3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide has a molecular weight of 389.93 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 119620338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).