3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide

C13H16ClN3O3 — CID 115667153

IUPAC3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C13H16ClN3O3/c1-9(13(19)17-4-6-20-7-5-17)16-12(18)10-2-3-15-8-11(10)14/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyWMCNBNYVZIOJOL-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.71
Rot. Bonds3

About 3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide

3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide (PubChem CID 115667153) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide
PubChem CID115667153
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C13H16ClN3O3/c1-9(13(19)17-4-6-20-7-5-17)16-12(18)10-2-3-15-8-11(10)14/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyWMCNBNYVZIOJOL-UHFFFAOYSA-N
XLogP0.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 113246489
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 9254602
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
5-bromo-2-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115603657
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 66484526
3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide
CID 115667142
2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104777234
2,3-difluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 115605200
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135183
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115669874

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide (CID 115667153) is 3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide is CC(NC(=O)c1ccncc1Cl)C(=O)N1CCOCC1.
What is the InChIKey of 3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide?
The InChIKey is WMCNBNYVZIOJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-9(13(19)17-4-6-20-7-5-17)16-12(18)10-2-3-15-8-11(10)14/h2-3,8-9H,4-7H2,1H3,(H,16,18).
What are the key properties of 3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide?
3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide has a molecular weight of 297.74 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 115667153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).