N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide

C25H27N5O2 — CID 87269486

IUPACN-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
SMILESO=CN(Cc1cccnc1)c1ccc(-c2ccccc2)nc1NCCN1CCCCC1=O
InChIInChI=1S/C25H27N5O2/c31-19-30(18-20-7-6-13-26-17-20)23-12-11-22(21-8-2-1-3-9-21)28-25(23)27-14-16-29-15-5-4-10-24(29)32/h1-3,6-9,11-13,17,19H,4-5,10,14-16,18H2,(H,27,28)
InChIKeyQWFMCXGMJFXLSH-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.73
Rot. Bonds9

About N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide

N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide (PubChem CID 87269486) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide.

Molecular Properties

Compound NameN-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
PubChem CID87269486
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC NameN-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
SMILESO=CN(Cc1cccnc1)c1ccc(-c2ccccc2)nc1NCCN1CCCCC1=O
InChIInChI=1S/C25H27N5O2/c31-19-30(18-20-7-6-13-26-17-20)23-12-11-22(21-8-2-1-3-9-21)28-25(23)27-14-16-29-15-5-4-10-24(29)32/h1-3,6-9,11-13,17,19H,4-5,10,14-16,18H2,(H,27,28)
InChIKeyQWFMCXGMJFXLSH-UHFFFAOYSA-N
XLogP3.73
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269434
N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269534
N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-formylthiophen-2-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269605
1-[2-[2-phenylethyl(pyridin-3-ylmethyl)amino]ethyl]pyrrolidin-2-one
CID 134700180
N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269299
1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
1-[3-[[9-phenyl-2-(pyridin-3-ylmethylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117092103
N-[2-[2-(3-fluorophenyl)ethylamino]-6-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87302384
1-[3-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]propyl]azepan-2-one
CID 9110203
N-[2-[2-(3-fluorophenyl)ethylamino]-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87302544
N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87302162
2-[2-[2-(2-oxoimidazolidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67102001

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The IUPAC name of N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide (CID 87269486) is N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide.
What is the SMILES notation for N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The canonical SMILES for N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide is O=CN(Cc1cccnc1)c1ccc(-c2ccccc2)nc1NCCN1CCCCC1=O.
What is the InChIKey of N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The InChIKey is QWFMCXGMJFXLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c31-19-30(18-20-7-6-13-26-17-20)23-12-11-22(21-8-2-1-3-9-21)28-25(23)27-14-16-29-15-5-4-10-24(29)32/h1-3,6-9,11-13,17,19H,4-5,10,14-16,18H2,(H,27,28).
What are the key properties of N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide has a molecular weight of 429.52 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide is sourced from PubChem (CID 87269486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).