2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid

C21H24N4O4 — CID 169214216

IUPAC2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)[C@@H]2CCCN(c3cccnc3)C2)c(C2CC2)cc1=O
InChIInChI=1S/C21H24N4O4/c26-19-9-17(14-5-6-14)18(12-25(19)13-20(27)28)23-21(29)15-3-2-8-24(11-15)16-4-1-7-22-10-16/h1,4,7,9-10,12,14-15H,2-3,5-6,8,11,13H2,(H,23,29)(H,27,28)/t15-/m1/s1
InChIKeyOHWWICFQABAYAP-OAHLLOKOSA-N
MW396.45 g/mol
LogP2.06
Rot. Bonds6

About 2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid

2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid (PubChem CID 169214216) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
PubChem CID169214216
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)[C@@H]2CCCN(c3cccnc3)C2)c(C2CC2)cc1=O
InChIInChI=1S/C21H24N4O4/c26-19-9-17(14-5-6-14)18(12-25(19)13-20(27)28)23-21(29)15-3-2-8-24(11-15)16-4-1-7-22-10-16/h1,4,7,9-10,12,14-15H,2-3,5-6,8,11,13H2,(H,23,29)(H,27,28)/t15-/m1/s1
InChIKeyOHWWICFQABAYAP-OAHLLOKOSA-N
XLogP2.06
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
CID 169213851
2-[5-[[1-(5-nitro-3-pyridinyl)piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetic acid
CID 169214084
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
methyl 2-[2-oxo-5-[[(3S)-1-(5-propan-2-yl-3-pyridinyl)piperidine-3-carbonyl]amino]-1-pyridinyl]acetate
CID 169214528
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
2-[5-[[(3S)-1-[5-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-pyridinyl]piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetic acid
CID 170164598
ethyl 2-[5-[[(3S)-1-(5-nitro-3-pyridinyl)piperidine-3-carbonyl]amino]-2-oxo-1-pyridinyl]acetate
CID 169214974
1-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 175830226
2-[2-oxo-5-[(5R)-3-oxo-9-pyridin-3-yl-2,9-diazaspiro[4.5]decan-2-yl]-1-pyridinyl]acetic acid
CID 176809221
(3S)-N-(2-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115508
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 53204040
(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 95115832

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid?
The IUPAC name of 2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid (CID 169214216) is 2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid is O=C(O)Cn1cc(NC(=O)[C@@H]2CCCN(c3cccnc3)C2)c(C2CC2)cc1=O.
What is the InChIKey of 2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid?
The InChIKey is OHWWICFQABAYAP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O4/c26-19-9-17(14-5-6-14)18(12-25(19)13-20(27)28)23-21(29)15-3-2-8-24(11-15)16-4-1-7-22-10-16/h1,4,7,9-10,12,14-15H,2-3,5-6,8,11,13H2,(H,23,29)(H,27,28)/t15-/m1/s1.
What are the key properties of 2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid?
2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid has a molecular weight of 396.45 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-2-oxo-5-[[(3R)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid is sourced from PubChem (CID 169214216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).