N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

C25H27N3O3 — CID 1297443

IUPACN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccccn2)CCCC1
InChIInChI=1S/C25H27N3O3/c1-18-9-7-10-19(2)22(18)27-24(30)25(13-4-5-14-25)28(17-20-11-8-16-31-20)23(29)21-12-3-6-15-26-21/h3,6-12,15-16H,4-5,13-14,17H2,1-2H3,(H,27,30)
InChIKeyVPKCSKONNBXRGY-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.89
Rot. Bonds6

About N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide

N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 1297443) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID1297443
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccccn2)CCCC1
InChIInChI=1S/C25H27N3O3/c1-18-9-7-10-19(2)22(18)27-24(30)25(13-4-5-14-25)28(17-20-11-8-16-31-20)23(29)21-12-3-6-15-26-21/h3,6-12,15-16H,4-5,13-14,17H2,1-2H3,(H,27,30)
InChIKeyVPKCSKONNBXRGY-UHFFFAOYSA-N
XLogP4.89
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide (CID 1297443) is N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccccn2)CCCC1.
What is the InChIKey of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is VPKCSKONNBXRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18-9-7-10-19(2)22(18)27-24(30)25(13-4-5-14-25)28(17-20-11-8-16-31-20)23(29)21-12-3-6-15-26-21/h3,6-12,15-16H,4-5,13-14,17H2,1-2H3,(H,27,30).
What are the key properties of N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide?
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclopentyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 1297443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).