(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide

C17H19N3O3 — CID 96526953

IUPAC(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)ccn1
InChIInChI=1S/C17H19N3O3/c1-12-11-13(7-8-18-12)19-16(21)14-5-2-3-9-20(14)17(22)15-6-4-10-23-15/h4,6-8,10-11,14H,2-3,5,9H2,1H3,(H,18,19,21)/t14-/m0/s1
InChIKeyYJUFIMCPHBTSSE-AWEZNQCLSA-N
MW313.36 g/mol
LogP2.62
Rot. Bonds3

About (2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide

(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide (PubChem CID 96526953) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
PubChem CID96526953
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)ccn1
InChIInChI=1S/C17H19N3O3/c1-12-11-13(7-8-18-12)19-16(21)14-5-2-3-9-20(14)17(22)15-6-4-10-23-15/h4,6-8,10-11,14H,2-3,5,9H2,1H3,(H,18,19,21)/t14-/m0/s1
InChIKeyYJUFIMCPHBTSSE-AWEZNQCLSA-N
XLogP2.62
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
1-(furan-2-carbonyl)-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 71902260
(2S)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55940765
methyl 2-[3-[[(2R)-1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]acetate
CID 99589299
ethyl 3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]benzoate
CID 60551969
1-(furan-2-carbonyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]piperidine-2-carboxamide
CID 75909705
2-[3-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 119224814
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 94809063
(2R)-N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 32821866
N-(3-carbamoylphenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 24659016
2-[4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 119254206
(2S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55944312

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide (CID 96526953) is (2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)ccn1.
What is the InChIKey of (2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide?
The InChIKey is YJUFIMCPHBTSSE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-11-13(7-8-18-12)19-16(21)14-5-2-3-9-20(14)17(22)15-6-4-10-23-15/h4,6-8,10-11,14H,2-3,5,9H2,1H3,(H,18,19,21)/t14-/m0/s1.
What are the key properties of (2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide?
(2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-carbonyl)-N-(2-methyl-4-pyridinyl)piperidine-2-carboxamide is sourced from PubChem (CID 96526953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).