(2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid

C20H26N6O5 — CID 163341011

IUPAC(2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid
SMILESCCCn1cnnc1CNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1.O=CO
InChIInChI=1S/C19H24N6O3.CH2O2/c1-2-8-24-12-22-23-15(24)10-21-19(27)18-17(13-4-3-7-20-9-13)25(14-5-6-14)16(26)11-28-18;2-1-3/h3-4,7,9,12,14,17-18H,2,5-6,8,10-11H2,1H3,(H,21,27);1H,(H,2,3)/t17-,18+;/m1./s1
InChIKeyTYCKZJFPKXGYOU-URBRKQAFSA-N
MW430.47 g/mol
LogP0.53
Rot. Bonds7

About (2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid

(2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid (PubChem CID 163341011) has the molecular formula C20H26N6O5 and a molecular weight of 430.47 g/mol. Its IUPAC name is (2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid.

Molecular Properties

Compound Name(2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid
PubChem CID163341011
Molecular FormulaC20H26N6O5
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name(2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid
SMILESCCCn1cnnc1CNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1.O=CO
InChIInChI=1S/C19H24N6O3.CH2O2/c1-2-8-24-12-22-23-15(24)10-21-19(27)18-17(13-4-3-7-20-9-13)25(14-5-6-14)16(26)11-28-18;2-1-3/h3-4,7,9,12,14,17-18H,2,5-6,8,10-11H2,1H3,(H,21,27);1H,(H,2,3)/t17-,18+;/m1./s1
InChIKeyTYCKZJFPKXGYOU-URBRKQAFSA-N
XLogP0.53
TPSA139.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide
CID 134709742
(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134706530
(2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134709167
(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride
CID 154914481
(2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134709598
(2S,3R)-N-[(3-cyanophenyl)methyl]-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 157012798
(2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134699988
(2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134699606
(5R,6S)-6-(4-acetylpiperazine-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one
CID 134713313
(5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one
CID 134704558
(5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one
CID 134701916
(5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one
CID 134695661

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid?
The IUPAC name of (2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid (CID 163341011) is (2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid.
What is the SMILES notation for (2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid?
The canonical SMILES for (2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid is CCCn1cnnc1CNC(=O)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1.O=CO.
What is the InChIKey of (2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid?
The InChIKey is TYCKZJFPKXGYOU-URBRKQAFSA-N. The full InChI is InChI=1S/C19H24N6O3.CH2O2/c1-2-8-24-12-22-23-15(24)10-21-19(27)18-17(13-4-3-7-20-9-13)25(14-5-6-14)16(26)11-28-18;2-1-3/h3-4,7,9,12,14,17-18H,2,5-6,8,10-11H2,1H3,(H,21,27);1H,(H,2,3)/t17-,18+;/m1./s1.
What are the key properties of (2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid?
(2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid has a molecular weight of 430.47 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid is sourced from PubChem (CID 163341011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).