(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

C16H15N3OS — CID 125124241

IUPAC(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccccn1
InChIInChI=1S/C16H15N3OS/c20-16(18-15-5-1-2-7-17-15)11-14(13-6-10-21-12-13)19-8-3-4-9-19/h1-10,12,14H,11H2,(H,17,18,20)/t14-/m1/s1
InChIKeyYJCBAIKQYULPEB-CQSZACIVSA-N
MW297.38 g/mol
LogP3.56
Rot. Bonds5

About (3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (PubChem CID 125124241) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is (3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
PubChem CID125124241
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccccn1
InChIInChI=1S/C16H15N3OS/c20-16(18-15-5-1-2-7-17-15)11-14(13-6-10-21-12-13)19-8-3-4-9-19/h1-10,12,14H,11H2,(H,17,18,20)/t14-/m1/s1
InChIKeyYJCBAIKQYULPEB-CQSZACIVSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431879
(3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434250
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128962816
(3S)-3-pyrrol-1-yl-3-thiophen-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 125434279
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963487
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963509
(3S)-N-[2-(2-methylimidazol-1-yl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431340
(3R)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431106
(3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434027
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963508
3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 128962918
(3R)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125432260

Frequently Asked Questions

What is the IUPAC name of (3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The IUPAC name of (3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (CID 125124241) is (3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for (3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The canonical SMILES for (3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is O=C(C[C@H](c1ccsc1)n1cccc1)Nc1ccccn1.
What is the InChIKey of (3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The InChIKey is YJCBAIKQYULPEB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15N3OS/c20-16(18-15-5-1-2-7-17-15)11-14(13-6-10-21-12-13)19-8-3-4-9-19/h1-10,12,14H,11H2,(H,17,18,20)/t14-/m1/s1.
What are the key properties of (3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide has a molecular weight of 297.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 125124241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).