N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide

C23H29N3O4 — CID 3245326

IUPACN-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(=O)[nH]c1)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C23H29N3O4/c27-20-11-10-17(15-24-20)21(28)26(16-19-9-6-14-30-19)23(12-4-1-5-13-23)22(29)25-18-7-2-3-8-18/h6,9-11,14-15,18H,1-5,7-8,12-13,16H2,(H,24,27)(H,25,29)
InChIKeyRRJIRTWOFIYMHL-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.37
Rot. Bonds6

About N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide

N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 3245326) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID3245326
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(=O)[nH]c1)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1
InChIInChI=1S/C23H29N3O4/c27-20-11-10-17(15-24-20)21(28)26(16-19-9-6-14-30-19)23(12-4-1-5-13-23)22(29)25-18-7-2-3-8-18/h6,9-11,14-15,18H,1-5,7-8,12-13,16H2,(H,24,27)(H,25,29)
InChIKeyRRJIRTWOFIYMHL-UHFFFAOYSA-N
XLogP3.37
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 3245326) is N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(c1ccc(=O)[nH]c1)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1.
What is the InChIKey of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RRJIRTWOFIYMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c27-20-11-10-17(15-24-20)21(28)26(16-19-9-6-14-30-19)23(12-4-1-5-13-23)22(29)25-18-7-2-3-8-18/h6,9-11,14-15,18H,1-5,7-8,12-13,16H2,(H,24,27)(H,25,29).
What are the key properties of N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 3245326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).