N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

C17H17N3O2S — CID 128962816

IUPACN-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESCOc1ccc(NC(=O)CC(c2ccsc2)n2cccc2)cn1
InChIInChI=1S/C17H17N3O2S/c1-22-17-5-4-14(11-18-17)19-16(21)10-15(13-6-9-23-12-13)20-7-2-3-8-20/h2-9,11-12,15H,10H2,1H3,(H,19,21)
InChIKeyCRYUSXHXMXLNQX-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.57
Rot. Bonds6

About N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide

N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (PubChem CID 128962816) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
PubChem CID128962816
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
SMILESCOc1ccc(NC(=O)CC(c2ccsc2)n2cccc2)cn1
InChIInChI=1S/C17H17N3O2S/c1-22-17-5-4-14(11-18-17)19-16(21)10-15(13-6-9-23-12-13)20-7-2-3-8-20/h2-9,11-12,15H,10H2,1H3,(H,19,21)
InChIKeyCRYUSXHXMXLNQX-UHFFFAOYSA-N
XLogP3.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434250
N-(1-methylindol-5-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 121240660
(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125124241
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963508
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 128963487
(3R)-N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431106
(3R)-N-(1H-imidazol-2-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125431879
(3R)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434027
3-pyrrol-1-yl-3-thiophen-3-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 128962918
(3R)-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434074
(3S)-N-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434169
(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709092

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide (CID 128962816) is N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is COc1ccc(NC(=O)CC(c2ccsc2)n2cccc2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
The InChIKey is CRYUSXHXMXLNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-22-17-5-4-14(11-18-17)19-16(21)10-15(13-6-9-23-12-13)20-7-2-3-8-20/h2-9,11-12,15H,10H2,1H3,(H,19,21).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide?
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide has a molecular weight of 327.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 128962816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).