(3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide

C20H20ClN3O2 — CID 97266547

IUPAC(3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide
SMILESCOc1ccc(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H20ClN3O2/c1-26-20-9-8-18(13-22-20)23-19(25)12-16(14-24-10-2-3-11-24)15-4-6-17(21)7-5-15/h2-11,13,16H,12,14H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyOQVFSBGMSHOMOE-MRXNPFEDSA-N
MW369.85 g/mol
LogP4.36
Rot. Bonds7

About (3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide

(3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide (PubChem CID 97266547) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide
PubChem CID97266547
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name(3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide
SMILESCOc1ccc(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H20ClN3O2/c1-26-20-9-8-18(13-22-20)23-19(25)12-16(14-24-10-2-3-11-24)15-4-6-17(21)7-5-15/h2-11,13,16H,12,14H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyOQVFSBGMSHOMOE-MRXNPFEDSA-N
XLogP4.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide
CID 71706434
(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
CID 9210800
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
(3S)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrol-1-ylbutanamide
CID 97266337
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128962816
(3S)-3-(4-chlorophenyl)-N-[2-(2-methylimidazol-1-yl)ethyl]-4-pyrrol-1-ylbutanamide
CID 124879790
N-(6-methoxy-3-pyridinyl)-2-phenylsulfanylacetamide
CID 2486887
(3S)-3-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-4-pyrrol-1-ylbutanamide
CID 124880062
(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)-4-pyrrol-1-ylbutanamide
CID 124878936
(3S)-3-(4-chlorophenyl)-N-(1H-indol-4-yl)-4-pyrrol-1-ylbutanamide
CID 97266791
2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 40713437
3-(4-chlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-pyrrol-1-ylbutanamide
CID 110205332

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide?
The IUPAC name of (3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide (CID 97266547) is (3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide is COc1ccc(NC(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)cn1.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide?
The InChIKey is OQVFSBGMSHOMOE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-26-20-9-8-18(13-22-20)23-19(25)12-16(14-24-10-2-3-11-24)15-4-6-17(21)7-5-15/h2-11,13,16H,12,14H2,1H3,(H,23,25)/t16-/m1/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide?
(3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide has a molecular weight of 369.85 g/mol, XLogP of 4.36, 7 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-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 97266547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).