5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide

C18H21Cl2N3O — CID 109241006

IUPAC5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cncc(Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C18H21Cl2N3O/c1-3-8-23(9-4-2)18(24)13-10-14(12-21-11-13)22-16-7-5-6-15(19)17(16)20/h5-7,10-12,22H,3-4,8-9H2,1-2H3
InChIKeyYDEURYRBGGRNJD-UHFFFAOYSA-N
MW366.29 g/mol
LogP5.39
Rot. Bonds7

About 5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide

5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide (PubChem CID 109241006) has the molecular formula C18H21Cl2N3O and a molecular weight of 366.29 g/mol. Its IUPAC name is 5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide
PubChem CID109241006
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.29 g/mol
Exact Mass365.11
IUPAC Name5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1cncc(Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C18H21Cl2N3O/c1-3-8-23(9-4-2)18(24)13-10-14(12-21-11-13)22-16-7-5-6-15(19)17(16)20/h5-7,10-12,22H,3-4,8-9H2,1-2H3
InChIKeyYDEURYRBGGRNJD-UHFFFAOYSA-N
XLogP5.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222945
5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109240944
N,N-dipropyl-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109240993
5-(3,5-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109241004
methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240973
5-(4-methylanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109240921
3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54840911
5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238786
5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231446
5-(3-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229190
4-[[2-(2,3-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54815933
5-(butylamino)-N,N-dipropylpyridine-3-carboxamide
CID 109224616

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide?
The IUPAC name of 5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide (CID 109241006) is 5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide?
The canonical SMILES for 5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide is CCCN(CCC)C(=O)c1cncc(Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide?
The InChIKey is YDEURYRBGGRNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O/c1-3-8-23(9-4-2)18(24)13-10-14(12-21-11-13)22-16-7-5-6-15(19)17(16)20/h5-7,10-12,22H,3-4,8-9H2,1-2H3.
What are the key properties of 5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide?
5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide has a molecular weight of 366.29 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide is sourced from PubChem (CID 109241006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).