N-(3-chloropropyl)pyridine-3-carboxamide

C9H11ClN2O — CID 17164667

IUPACN-(3-chloropropyl)pyridine-3-carboxamide
SMILESO=C(NCCCCl)c1cccnc1
InChIInChI=1S/C9H11ClN2O/c10-4-2-6-12-9(13)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2,(H,12,13)
InChIKeyGLRGNYXEZFQXQN-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.44
Rot. Bonds4

About N-(3-chloropropyl)pyridine-3-carboxamide

N-(3-chloropropyl)pyridine-3-carboxamide (PubChem CID 17164667) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is N-(3-chloropropyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)pyridine-3-carboxamide
PubChem CID17164667
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC NameN-(3-chloropropyl)pyridine-3-carboxamide
SMILESO=C(NCCCCl)c1cccnc1
InChIInChI=1S/C9H11ClN2O/c10-4-2-6-12-9(13)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2,(H,12,13)
InChIKeyGLRGNYXEZFQXQN-UHFFFAOYSA-N
XLogP1.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-octadecylpyridine-3-carboxamide
CID 3547337
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
CID 90500651
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate
CID 25072807
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
S-(sulfanylmethyl) 4-(pyridine-3-carbonylamino)butanethioate
CID 123417051

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloropropyl)pyridine-3-carboxamide (CID 17164667) is N-(3-chloropropyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloropropyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloropropyl)pyridine-3-carboxamide is O=C(NCCCCl)c1cccnc1.
What is the InChIKey of N-(3-chloropropyl)pyridine-3-carboxamide?
The InChIKey is GLRGNYXEZFQXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-4-2-6-12-9(13)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2,(H,12,13).
What are the key properties of N-(3-chloropropyl)pyridine-3-carboxamide?
N-(3-chloropropyl)pyridine-3-carboxamide has a molecular weight of 198.65 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)pyridine-3-carboxamide is sourced from PubChem (CID 17164667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).