3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide

C13H16ClN3O3 — CID 115667142

IUPAC3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide
SMILESO=C(NCCC(=O)N1CCOCC1)c1ccncc1Cl
InChIInChI=1S/C13H16ClN3O3/c14-11-9-15-3-1-10(11)13(19)16-4-2-12(18)17-5-7-20-8-6-17/h1,3,9H,2,4-8H2,(H,16,19)
InChIKeyPVGWUAFAJRGYCZ-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.71
Rot. Bonds4

About 3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide

3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide (PubChem CID 115667142) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide
PubChem CID115667142
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide
SMILESO=C(NCCC(=O)N1CCOCC1)c1ccncc1Cl
InChIInChI=1S/C13H16ClN3O3/c14-11-9-15-3-1-10(11)13(19)16-4-2-12(18)17-5-7-20-8-6-17/h1,3,9H,2,4-8H2,(H,16,19)
InChIKeyPVGWUAFAJRGYCZ-UHFFFAOYSA-N
XLogP0.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
CID 115868328
3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112697162
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 112695851
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619
3-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-4-carboxamide
CID 115667153
3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 66482781
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 105369598
5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 51120675
2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709231

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide (CID 115667142) is 3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide is O=C(NCCC(=O)N1CCOCC1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide?
The InChIKey is PVGWUAFAJRGYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-11-9-15-3-1-10(11)13(19)16-4-2-12(18)17-5-7-20-8-6-17/h1,3,9H,2,4-8H2,(H,16,19).
What are the key properties of 3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide?
3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide has a molecular weight of 297.74 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 115667142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).