3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide

C9H10Cl2N2O — CID 66482803

IUPAC3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
SMILESO=C(NCCCCl)c1ccncc1Cl
InChIInChI=1S/C9H10Cl2N2O/c10-3-1-4-13-9(14)7-2-5-12-6-8(7)11/h2,5-6H,1,3-4H2,(H,13,14)
InChIKeyBSYCDAHKMNBHFM-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.09
Rot. Bonds4

About 3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide

3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide (PubChem CID 66482803) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
PubChem CID66482803
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
SMILESO=C(NCCCCl)c1ccncc1Cl
InChIInChI=1S/C9H10Cl2N2O/c10-3-1-4-13-9(14)7-2-5-12-6-8(7)11/h2,5-6H,1,3-4H2,(H,13,14)
InChIKeyBSYCDAHKMNBHFM-UHFFFAOYSA-N
XLogP2.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.09
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-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
3-chloro-N-(7-methyloctyl)pyridine-4-carboxamide
CID 66481997
3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
CID 103714800
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 66482781
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526506
3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-4-carboxamide
CID 66484906
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid
CID 79456698
N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide
CID 114309395

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide (CID 66482803) is 3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide is O=C(NCCCCl)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide?
The InChIKey is BSYCDAHKMNBHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c10-3-1-4-13-9(14)7-2-5-12-6-8(7)11/h2,5-6H,1,3-4H2,(H,13,14).
What are the key properties of 3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide?
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide has a molecular weight of 233.10 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide is sourced from PubChem (CID 66482803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).