(2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide

C17H17ClN4O — CID 14390407

IUPAC(2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
SMILESC[C@@H](C(=O)N(C)C)n1c(-c2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C17H17ClN4O/c1-11(17(23)21(2)3)22-15(12-6-8-13(18)9-7-12)20-14-5-4-10-19-16(14)22/h4-11H,1-3H3/t11-/m0/s1
InChIKeyMETKHKQSAQCIIF-NSHDSACASA-N
MW328.80 g/mol
LogP3.40
Rot. Bonds3

About (2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide

(2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide (PubChem CID 14390407) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is (2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
PubChem CID14390407
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name(2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
SMILESC[C@@H](C(=O)N(C)C)n1c(-c2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C17H17ClN4O/c1-11(17(23)21(2)3)22-15(12-6-8-13(18)9-7-12)20-14-5-4-10-19-16(14)22/h4-11H,1-3H3/t11-/m0/s1
InChIKeyMETKHKQSAQCIIF-NSHDSACASA-N
XLogP3.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide (CID 14390407) is (2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide is C[C@@H](C(=O)N(C)C)n1c(-c2ccc(Cl)cc2)nc2cccnc21.
What is the InChIKey of (2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide?
The InChIKey is METKHKQSAQCIIF-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-11(17(23)21(2)3)22-15(12-6-8-13(18)9-7-12)20-14-5-4-10-19-16(14)22/h4-11H,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide?
(2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide has a molecular weight of 328.80 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 14390407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).