N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide

C28H30N4O3 — CID 90229570

IUPACN-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
SMILESCn1c(=O)ccc2cc(OCCCCCN(CCc3cccnc3)C(=O)c3cccnc3)ccc21
InChIInChI=1S/C28H30N4O3/c1-31-26-11-10-25(19-23(26)9-12-27(31)33)35-18-4-2-3-16-32(17-13-22-7-5-14-29-20-22)28(34)24-8-6-15-30-21-24/h5-12,14-15,19-21H,2-4,13,16-18H2,1H3
InChIKeyIPNYBCYVMQGXJA-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.26
Rot. Bonds11

About N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide

N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide (PubChem CID 90229570) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
PubChem CID90229570
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
SMILESCn1c(=O)ccc2cc(OCCCCCN(CCc3cccnc3)C(=O)c3cccnc3)ccc21
InChIInChI=1S/C28H30N4O3/c1-31-26-11-10-25(19-23(26)9-12-27(31)33)35-18-4-2-3-16-32(17-13-22-7-5-14-29-20-22)28(34)24-8-6-15-30-21-24/h5-12,14-15,19-21H,2-4,13,16-18H2,1H3
InChIKeyIPNYBCYVMQGXJA-UHFFFAOYSA-N
XLogP4.26
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide (CID 90229570) is N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide is Cn1c(=O)ccc2cc(OCCCCCN(CCc3cccnc3)C(=O)c3cccnc3)ccc21.
What is the InChIKey of N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?
The InChIKey is IPNYBCYVMQGXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-31-26-11-10-25(19-23(26)9-12-27(31)33)35-18-4-2-3-16-32(17-13-22-7-5-14-29-20-22)28(34)24-8-6-15-30-21-24/h5-12,14-15,19-21H,2-4,13,16-18H2,1H3.
What are the key properties of N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide?
N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.26, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methyl-2-oxoquinolin-6-yl)oxypentyl]-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 90229570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).