1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C25H28N4O3 — CID 55967766

IUPAC1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)ccc2c1
InChIInChI=1S/C25H28N4O3/c1-16(17-5-6-19-13-22(32-2)9-7-18(19)12-17)25(31)28-21-8-10-23(27-14-21)29-11-3-4-20(15-29)24(26)30/h5-10,12-14,16,20H,3-4,11,15H2,1-2H3,(H2,26,30)(H,28,31)/t16-,20?/m0/s1
InChIKeyWXUMOAQEQZDSRQ-DJZRFWRSSA-N
MW432.52 g/mol
LogP3.69
Rot. Bonds6

About 1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55967766) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55967766
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)ccc2c1
InChIInChI=1S/C25H28N4O3/c1-16(17-5-6-19-13-22(32-2)9-7-18(19)12-17)25(31)28-21-8-10-23(27-14-21)29-11-3-4-20(15-29)24(26)30/h5-10,12-14,16,20H,3-4,11,15H2,1-2H3,(H2,26,30)(H,28,31)/t16-,20?/m0/s1
InChIKeyWXUMOAQEQZDSRQ-DJZRFWRSSA-N
XLogP3.69
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 86967490
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
1-[5-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970455
1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701063
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 45221796
1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 55970974
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55970967
(3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304789

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55967766) is 1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide is COc1ccc2cc([C@H](C)C(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)ccc2c1.
What is the InChIKey of 1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is WXUMOAQEQZDSRQ-DJZRFWRSSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16(17-5-6-19-13-22(32-2)9-7-18(19)12-17)25(31)28-21-8-10-23(27-14-21)29-11-3-4-20(15-29)24(26)30/h5-10,12-14,16,20H,3-4,11,15H2,1-2H3,(H2,26,30)(H,28,31)/t16-,20?/m0/s1.
What are the key properties of 1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55967766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).