N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C18H20N2O3 — CID 71893668

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc3c([nH]c2=O)CCC3)c1
InChIInChI=1S/C18H20N2O3/c1-23-14-6-2-4-12(10-14)8-9-19-17(21)15-11-13-5-3-7-16(13)20-18(15)22/h2,4,6,10-11H,3,5,7-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyHHDDSMPATITWNS-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 71893668) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID71893668
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc3c([nH]c2=O)CCC3)c1
InChIInChI=1S/C18H20N2O3/c1-23-14-6-2-4-12(10-14)8-9-19-17(21)15-11-13-5-3-7-16(13)20-18(15)22/h2,4,6,10-11H,3,5,7-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyHHDDSMPATITWNS-UHFFFAOYSA-N
XLogP1.84
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 154748320
N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
2-(3-methoxyphenyl)-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 110788667
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107854785
2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761695
N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044244
N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110648496
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 51596082
N-[2-(ethylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 119508881
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
N-[3-(3-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705004

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 71893668) is N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is COc1cccc(CCNC(=O)c2cc3c([nH]c2=O)CCC3)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is HHDDSMPATITWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-23-14-6-2-4-12(10-14)8-9-19-17(21)15-11-13-5-3-7-16(13)20-18(15)22/h2,4,6,10-11H,3,5,7-9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 71893668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).