4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide

C16H18ClN3O — CID 86990770

IUPAC4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide
SMILESCC(CNC(=O)c1cc(Cl)ccn1)N(C)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-12(20(2)14-6-4-3-5-7-14)11-19-16(21)15-10-13(17)8-9-18-15/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyCUNBGTXWRVISNB-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.99
Rot. Bonds5

About 4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide

4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide (PubChem CID 86990770) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide
PubChem CID86990770
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide
SMILESCC(CNC(=O)c1cc(Cl)ccn1)N(C)c1ccccc1
InChIInChI=1S/C16H18ClN3O/c1-12(20(2)14-6-4-3-5-7-14)11-19-16(21)15-10-13(17)8-9-18-15/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyCUNBGTXWRVISNB-UHFFFAOYSA-N
XLogP2.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]pyridine-2-carboxamide
CID 9427363
4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538436
2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 51725711
4-chloro-N-(2-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61053300
4-chloro-N-[2-oxo-2-(1-phenylbutylamino)ethyl]pyridine-2-carboxamide
CID 18115585
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085
4-chloro-N-pentan-2-ylpyridine-2-carboxamide
CID 43087437
N-[(2R)-2-(N-methylanilino)propyl]-2-sulfanylidene-3H-1,3,4-thiadiazole-5-carboxamide
CID 124737028
4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61051288
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115604084
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8854260

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide (CID 86990770) is 4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide is CC(CNC(=O)c1cc(Cl)ccn1)N(C)c1ccccc1.
What is the InChIKey of 4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide?
The InChIKey is CUNBGTXWRVISNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-12(20(2)14-6-4-3-5-7-14)11-19-16(21)15-10-13(17)8-9-18-15/h3-10,12H,11H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide?
4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 86990770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).