(3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C24H25N5O3 — CID 125026870

IUPAC(3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1
InChIInChI=1S/C24H25N5O3/c25-23(31)24(21-6-1-2-13-27-21)11-4-14-29(17-24)16-22(30)28-18-7-9-19(10-8-18)32-20-5-3-12-26-15-20/h1-3,5-10,12-13,15H,4,11,14,16-17H2,(H2,25,31)(H,28,30)/t24-/m1/s1
InChIKeyZWTUVVRDOZGKCF-XMMPIXPASA-N
MW431.50 g/mol
LogP2.73
Rot. Bonds7

About (3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

(3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 125026870) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is (3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID125026870
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name(3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1
InChIInChI=1S/C24H25N5O3/c25-23(31)24(21-6-1-2-13-27-21)11-4-14-29(17-24)16-22(30)28-18-7-9-19(10-8-18)32-20-5-3-12-26-15-20/h1-3,5-10,12-13,15H,4,11,14,16-17H2,(H2,25,31)(H,28,30)/t24-/m1/s1
InChIKeyZWTUVVRDOZGKCF-XMMPIXPASA-N
XLogP2.73
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 129458524
(3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124959329
(3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124986533
1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152705
(3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124983698
1-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152347
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide
CID 110077792
N-(4-phenoxyphenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666451
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152504
3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 110149670

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 125026870) is (3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is NC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1.
What is the InChIKey of (3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is ZWTUVVRDOZGKCF-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25N5O3/c25-23(31)24(21-6-1-2-13-27-21)11-4-14-29(17-24)16-22(30)28-18-7-9-19(10-8-18)32-20-5-3-12-26-15-20/h1-3,5-10,12-13,15H,4,11,14,16-17H2,(H2,25,31)(H,28,30)/t24-/m1/s1.
What are the key properties of (3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 125026870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).