1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide

C22H23N3O3 — CID 144794013

IUPAC1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide
SMILESCN(C=O)CCC(O)C#Cc1cccc(-c2nc(C(N)=O)cc3c2CCC3)c1
InChIInChI=1S/C22H23N3O3/c1-25(14-26)11-10-18(27)9-8-15-4-2-6-17(12-15)21-19-7-3-5-16(19)13-20(24-21)22(23)28/h2,4,6,12-14,18,27H,3,5,7,10-11H2,1H3,(H2,23,28)
InChIKeySATXRCRESPJDEW-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.53
Rot. Bonds6

About 1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide

1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide (PubChem CID 144794013) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide
PubChem CID144794013
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide
SMILESCN(C=O)CCC(O)C#Cc1cccc(-c2nc(C(N)=O)cc3c2CCC3)c1
InChIInChI=1S/C22H23N3O3/c1-25(14-26)11-10-18(27)9-8-15-4-2-6-17(12-15)21-19-7-3-5-16(19)13-20(24-21)22(23)28/h2,4,6,12-14,18,27H,3,5,7,10-11H2,1H3,(H2,23,28)
InChIKeySATXRCRESPJDEW-UHFFFAOYSA-N
XLogP1.53
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide?
The IUPAC name of 1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide (CID 144794013) is 1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide?
The canonical SMILES for 1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide is CN(C=O)CCC(O)C#Cc1cccc(-c2nc(C(N)=O)cc3c2CCC3)c1.
What is the InChIKey of 1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide?
The InChIKey is SATXRCRESPJDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-25(14-26)11-10-18(27)9-8-15-4-2-6-17(12-15)21-19-7-3-5-16(19)13-20(24-21)22(23)28/h2,4,6,12-14,18,27H,3,5,7,10-11H2,1H3,(H2,23,28).
What are the key properties of 1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide?
1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[formyl(methyl)amino]-3-hydroxypent-1-ynyl]phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carboxamide is sourced from PubChem (CID 144794013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).