N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C19H20N4O3 — CID 131932478

IUPACN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)Nc1ccc3nc(C(C)O)[nH]c3c1)CCC2
InChIInChI=1S/C19H20N4O3/c1-10(24)17-21-15-7-6-12(9-16(15)22-17)20-18(25)13-8-11-4-3-5-14(11)23-19(13)26-2/h6-10,24H,3-5H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyRFSORFAGPCLDJZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.76
Rot. Bonds4

About N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 131932478) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID131932478
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)Nc1ccc3nc(C(C)O)[nH]c3c1)CCC2
InChIInChI=1S/C19H20N4O3/c1-10(24)17-21-15-7-6-12(9-16(15)22-17)20-18(25)13-8-11-4-3-5-14(11)23-19(13)26-2/h6-10,24H,3-5H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyRFSORFAGPCLDJZ-UHFFFAOYSA-N
XLogP2.76
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea
CID 169356684
3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
CID 131952585
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 131939383
2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 168520800
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide
CID 131908353
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-piperidin-4-ylacetamide
CID 131891746
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 131925459
2-(3,4-dimethylphenyl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 131918595
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131930910
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide
CID 75391625
2-(1,3-benzodioxol-5-yl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 131936069
1-(2-ethoxyacetyl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide
CID 131922240

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 131932478) is N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is COc1nc2c(cc1C(=O)Nc1ccc3nc(C(C)O)[nH]c3c1)CCC2.
What is the InChIKey of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is RFSORFAGPCLDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-10(24)17-21-15-7-6-12(9-16(15)22-17)20-18(25)13-8-11-4-3-5-14(11)23-19(13)26-2/h6-10,24H,3-5H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 131932478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).