3-chloro-N,N-dipropylpyridine-4-carboxamide

C12H17ClN2O — CID 66463803

IUPAC3-chloro-N,N-dipropylpyridine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccncc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-7-15(8-4-2)12(16)10-5-6-14-9-11(10)13/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyLAUGBESMGHSCRR-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.00
Rot. Bonds5

About 3-chloro-N,N-dipropylpyridine-4-carboxamide

3-chloro-N,N-dipropylpyridine-4-carboxamide (PubChem CID 66463803) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-chloro-N,N-dipropylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N,N-dipropylpyridine-4-carboxamide
PubChem CID66463803
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-chloro-N,N-dipropylpyridine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccncc1Cl
InChIInChI=1S/C12H17ClN2O/c1-3-7-15(8-4-2)12(16)10-5-6-14-9-11(10)13/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyLAUGBESMGHSCRR-UHFFFAOYSA-N
XLogP3.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide
CID 66483955
3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 66482927
2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid
CID 66464574
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide
CID 66464783
methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 79078825
N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide
CID 115646479
3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484898
3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104555833
N-benzyl-3-chloro-N-(2-chloroethyl)pyridine-4-carboxamide
CID 66474102
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593
4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide
CID 81227403

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dipropylpyridine-4-carboxamide?
The IUPAC name of 3-chloro-N,N-dipropylpyridine-4-carboxamide (CID 66463803) is 3-chloro-N,N-dipropylpyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N,N-dipropylpyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N,N-dipropylpyridine-4-carboxamide is CCCN(CCC)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N,N-dipropylpyridine-4-carboxamide?
The InChIKey is LAUGBESMGHSCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-7-15(8-4-2)12(16)10-5-6-14-9-11(10)13/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 3-chloro-N,N-dipropylpyridine-4-carboxamide?
3-chloro-N,N-dipropylpyridine-4-carboxamide has a molecular weight of 240.73 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dipropylpyridine-4-carboxamide is sourced from PubChem (CID 66463803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).