4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine

C24H37BrN4O — CID 162142267

IUPAC4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine
SMILESCCC(CC)NC(=O)N1CC=C(C2=CCc3ncc(Br)cc32)CC1.CCC(N)CC
InChIInChI=1S/C19H24BrN3O.C5H13N/c1-3-15(4-2)22-19(24)23-9-7-13(8-10-23)16-5-6-18-17(16)11-14(20)12-21-18;1-3-5(6)4-2/h5,7,11-12,15H,3-4,6,8-10H2,1-2H3,(H,22,24);5H,3-4,6H2,1-2H3
InChIKeyZKBSQJHLBQSKLJ-UHFFFAOYSA-N
MW477.49 g/mol
LogP5.45
Rot. Bonds6

About 4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine

4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine (PubChem CID 162142267) has the molecular formula C24H37BrN4O and a molecular weight of 477.49 g/mol. Its IUPAC name is 4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine.

Molecular Properties

Compound Name4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine
PubChem CID162142267
Molecular FormulaC24H37BrN4O
Molecular Weight477.49 g/mol
Exact Mass476.22
IUPAC Name4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine
SMILESCCC(CC)NC(=O)N1CC=C(C2=CCc3ncc(Br)cc32)CC1.CCC(N)CC
InChIInChI=1S/C19H24BrN3O.C5H13N/c1-3-15(4-2)22-19(24)23-9-7-13(8-10-23)16-5-6-18-17(16)11-14(20)12-21-18;1-3-5(6)4-2/h5,7,11-12,15H,3-4,6,8-10H2,1-2H3,(H,22,24);5H,3-4,6H2,1-2H3
InChIKeyZKBSQJHLBQSKLJ-UHFFFAOYSA-N
XLogP5.45
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.49
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine?
The IUPAC name of 4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine (CID 162142267) is 4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine.
What is the SMILES notation for 4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine?
The canonical SMILES for 4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine is CCC(CC)NC(=O)N1CC=C(C2=CCc3ncc(Br)cc32)CC1.CCC(N)CC.
What is the InChIKey of 4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine?
The InChIKey is ZKBSQJHLBQSKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O.C5H13N/c1-3-15(4-2)22-19(24)23-9-7-13(8-10-23)16-5-6-18-17(16)11-14(20)12-21-18;1-3-5(6)4-2/h5,7,11-12,15H,3-4,6,8-10H2,1-2H3,(H,22,24);5H,3-4,6H2,1-2H3.
What are the key properties of 4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine?
4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine has a molecular weight of 477.49 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)-N-pentan-3-yl-3,6-dihydro-2H-pyridine-1-carboxamide;pentan-3-amine is sourced from PubChem (CID 162142267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).