N-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide

C20H24N4O3 — CID 166328631

IUPACN-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCCNC(=O)c2ccnc3c2CCC3)cc(=O)[nH]1
InChIInChI=1S/C20H24N4O3/c1-13-11-14(12-18(25)23-13)20(27)24(2)10-4-8-22-19(26)16-7-9-21-17-6-3-5-15(16)17/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyBXCYUOHRGRCJAT-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.46
Rot. Bonds6

About N-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide

N-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide (PubChem CID 166328631) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide
PubChem CID166328631
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCCNC(=O)c2ccnc3c2CCC3)cc(=O)[nH]1
InChIInChI=1S/C20H24N4O3/c1-13-11-14(12-18(25)23-13)20(27)24(2)10-4-8-22-19(26)16-7-9-21-17-6-3-5-15(16)17/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyBXCYUOHRGRCJAT-UHFFFAOYSA-N
XLogP1.46
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide?
The IUPAC name of N-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide (CID 166328631) is N-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)CCCNC(=O)c2ccnc3c2CCC3)cc(=O)[nH]1.
What is the InChIKey of N-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide?
The InChIKey is BXCYUOHRGRCJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-11-14(12-18(25)23-13)20(27)24(2)10-4-8-22-19(26)16-7-9-21-17-6-3-5-15(16)17/h7,9,11-12H,3-6,8,10H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide?
N-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide is sourced from PubChem (CID 166328631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).