N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide

C27H28N4O3 — CID 3549936

IUPACN-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2ccco2)c(C2CCN(C(=O)c3cccc4cc[nH]c34)CC2)n1
InChIInChI=1S/C27H28N4O3/c1-18-8-9-23(26(32)30(2)17-21-6-4-16-34-21)25(29-18)20-11-14-31(15-12-20)27(33)22-7-3-5-19-10-13-28-24(19)22/h3-10,13,16,20,28H,11-12,14-15,17H2,1-2H3
InChIKeyCDVLLVATVDJKFX-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.76
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide

N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide (PubChem CID 3549936) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
PubChem CID3549936
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2ccco2)c(C2CCN(C(=O)c3cccc4cc[nH]c34)CC2)n1
InChIInChI=1S/C27H28N4O3/c1-18-8-9-23(26(32)30(2)17-21-6-4-16-34-21)25(29-18)20-11-14-31(15-12-20)27(33)22-7-3-5-19-10-13-28-24(19)22/h3-10,13,16,20,28H,11-12,14-15,17H2,1-2H3
InChIKeyCDVLLVATVDJKFX-UHFFFAOYSA-N
XLogP4.76
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3471169
2-[1-(5-acetamido-2-hydroxybenzoyl)piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3307942
N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 3865479
[(1S)-2-[4-[3-[furan-2-ylmethyl(methyl)carbamoyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxo-1-phenylethyl] acetate
CID 74225390
2-[1-[2-(cyclohexen-1-yl)ethylcarbamothioyl]piperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 3703018
N-(furan-2-ylmethyl)-N,6-dimethyl-2-[1-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 6298335
N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852096
N-benzyl-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852094
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 42852107
2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867138
N-(furan-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 18111834
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
CID 95866622

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide (CID 3549936) is N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)N(C)Cc2ccco2)c(C2CCN(C(=O)c3cccc4cc[nH]c34)CC2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is CDVLLVATVDJKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-18-8-9-23(26(32)30(2)17-21-6-4-16-34-21)25(29-18)20-11-14-31(15-12-20)27(33)22-7-3-5-19-10-13-28-24(19)22/h3-10,13,16,20,28H,11-12,14-15,17H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide?
N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[1-(1H-indole-7-carbonyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 3549936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).