N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C18H18N6O2 — CID 90649019

IUPACN-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C18H18N6O2/c1-24(10-11-4-2-6-13(8-11)16-20-22-23-21-16)18(26)14-9-12-5-3-7-15(12)19-17(14)25/h2,4,6,8-9H,3,5,7,10H2,1H3,(H,19,25)(H,20,21,22,23)
InChIKeyRREWKOPWRYUGIK-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.32
Rot. Bonds4

About N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 90649019) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID90649019
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C18H18N6O2/c1-24(10-11-4-2-6-13(8-11)16-20-22-23-21-16)18(26)14-9-12-5-3-7-15(12)19-17(14)25/h2,4,6,8-9H,3,5,7,10H2,1H3,(H,19,25)(H,20,21,22,23)
InChIKeyRREWKOPWRYUGIK-UHFFFAOYSA-N
XLogP1.32
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 77086051
2,6-dimethoxy-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyridine-3-carboxamide
CID 91795809
N-methyl-2-methylsulfanyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 91771867
2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 91785545
3-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 90651564
2-(4-chlorophenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 91777143
2-(3-hydroxyphenyl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 166341757
2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 124758787
3-(3-but-3-ynyldiazirin-3-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 166418818
N-methyl-2-oxo-N-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 97446078
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 17458460
3-[methyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 60989086

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 90649019) is N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is RREWKOPWRYUGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-24(10-11-4-2-6-13(8-11)16-20-22-23-21-16)18(26)14-9-12-5-3-7-15(12)19-17(14)25/h2,4,6,8-9H,3,5,7,10H2,1H3,(H,19,25)(H,20,21,22,23).
What are the key properties of N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 90649019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).