(3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide

C19H18ClN3O2 — CID 125432558

IUPAC(3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ncccc1NC(=O)C[C@@H](c1ccc(Cl)cc1)n1cccc1
InChIInChI=1S/C19H18ClN3O2/c1-25-19-16(5-4-10-21-19)22-18(24)13-17(23-11-2-3-12-23)14-6-8-15(20)9-7-14/h2-12,17H,13H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyKLNYIXBIPLBRNG-KRWDZBQOSA-N
MW355.83 g/mol
LogP4.16
Rot. Bonds6

About (3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide

(3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide (PubChem CID 125432558) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide
PubChem CID125432558
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ncccc1NC(=O)C[C@@H](c1ccc(Cl)cc1)n1cccc1
InChIInChI=1S/C19H18ClN3O2/c1-25-19-16(5-4-10-21-19)22-18(24)13-17(23-11-2-3-12-23)14-6-8-15(20)9-7-14/h2-12,17H,13H2,1H3,(H,22,24)/t17-/m0/s1
InChIKeyKLNYIXBIPLBRNG-KRWDZBQOSA-N
XLogP4.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-3-pyridinyl)-3-phenyl-3-pyrrol-1-ylpropanamide
CID 110204604
(3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434250
3-amino-N-(2-methoxy-3-pyridinyl)-3-phenylpropanamide
CID 43708900
(3S)-3-(4-chlorophenyl)-3-pyrrol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 125432197
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709092
(3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709525
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709595
7-amino-N-(2-methoxy-3-pyridinyl)heptanamide
CID 43708890
2-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxy-3-pyridinyl)acetamide
CID 110204770
3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 62727393
(3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
CID 125431434

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide (CID 125432558) is (3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide is COc1ncccc1NC(=O)C[C@@H](c1ccc(Cl)cc1)n1cccc1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is KLNYIXBIPLBRNG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-25-19-16(5-4-10-21-19)22-18(24)13-17(23-11-2-3-12-23)14-6-8-15(20)9-7-14/h2-12,17H,13H2,1H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide?
(3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 355.83 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 125432558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).