2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide

C18H23N3O2 — CID 131907416

IUPAC2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(c1cccnc1)N1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-14-16(7-11-23-14)18(22)20-13-17(15-6-5-8-19-12-15)21-9-3-2-4-10-21/h5-8,11-12,17H,2-4,9-10,13H2,1H3,(H,20,22)
InChIKeyBQHNWNZHBYWKPA-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.94
Rot. Bonds5

About 2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide

2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide (PubChem CID 131907416) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide
PubChem CID131907416
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(c1cccnc1)N1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-14-16(7-11-23-14)18(22)20-13-17(15-6-5-8-19-12-15)21-9-3-2-4-10-21/h5-8,11-12,17H,2-4,9-10,13H2,1H3,(H,20,22)
InChIKeyBQHNWNZHBYWKPA-UHFFFAOYSA-N
XLogP2.94
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 99929015
5-methoxy-2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 146042975
5-N-(2-methylpropyl)-4-oxo-3-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45206058
6-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74236670
N-[2-(azepan-1-yl)-2-phenylethyl]-3-methylpyridine-4-carboxamide
CID 131940299
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695
2-ethyl-4-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 74246411
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97187717
4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 74234117
1-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 162626540
1-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94153994
N-[2-(azepan-1-yl)-2-phenylethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131893516

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide (CID 131907416) is 2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide is Cc1occc1C(=O)NCC(c1cccnc1)N1CCCCC1.
What is the InChIKey of 2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide?
The InChIKey is BQHNWNZHBYWKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-16(7-11-23-14)18(22)20-13-17(15-6-5-8-19-12-15)21-9-3-2-4-10-21/h5-8,11-12,17H,2-4,9-10,13H2,1H3,(H,20,22).
What are the key properties of 2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide?
2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)furan-3-carboxamide is sourced from PubChem (CID 131907416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).