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

C24H31N3O4 — CID 3236595

IUPACN-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(=O)[nH]c1)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C24H31N3O4/c28-21-12-11-18(16-25-21)22(29)27(17-20-10-7-15-31-20)24(13-5-2-6-14-24)23(30)26-19-8-3-1-4-9-19/h7,10-12,15-16,19H,1-6,8-9,13-14,17H2,(H,25,28)(H,26,30)
InChIKeyCMJGDLMJNGIUHQ-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.76
Rot. Bonds6

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

N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 3236595) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID3236595
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(=O)[nH]c1)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1
InChIInChI=1S/C24H31N3O4/c28-21-12-11-18(16-25-21)22(29)27(17-20-10-7-15-31-20)24(13-5-2-6-14-24)23(30)26-19-8-3-1-4-9-19/h7,10-12,15-16,19H,1-6,8-9,13-14,17H2,(H,25,28)(H,26,30)
InChIKeyCMJGDLMJNGIUHQ-UHFFFAOYSA-N
XLogP3.76
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 3236595) is N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(c1ccc(=O)[nH]c1)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1.
What is the InChIKey of N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CMJGDLMJNGIUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c28-21-12-11-18(16-25-21)22(29)27(17-20-10-7-15-31-20)24(13-5-2-6-14-24)23(30)26-19-8-3-1-4-9-19/h7,10-12,15-16,19H,1-6,8-9,13-14,17H2,(H,25,28)(H,26,30).
What are the key properties of N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 3236595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).