2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide

C13H17Cl2N3O2 — CID 114917727

IUPAC2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(CN1CCOCC1)NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-9(8-18-2-4-20-5-3-18)17-13(19)10-6-12(15)16-7-11(10)14/h6-7,9H,2-5,8H2,1H3,(H,17,19)
InChIKeyYWJRYPVEAWEFSH-UHFFFAOYSA-N
MW318.20 g/mol
LogP1.84
Rot. Bonds4

About 2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide

2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 114917727) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID114917727
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(CN1CCOCC1)NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-9(8-18-2-4-20-5-3-18)17-13(19)10-6-12(15)16-7-11(10)14/h6-7,9H,2-5,8H2,1H3,(H,17,19)
InChIKeyYWJRYPVEAWEFSH-UHFFFAOYSA-N
XLogP1.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 106501557
2,5-dichloro-N-[1-(oxan-4-yl)ethyl]pyridine-4-carboxamide
CID 105060780
2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917693
2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114918896
2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 114918873
1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624112
1-ethyl-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide
CID 4772972
1,6-dimethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-oxopyridine-3-carboxamide
CID 126449276
5-amino-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide;dihydrochloride
CID 120642682
1-methyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 94025927
2-ethoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyridine-3-carboxamide
CID 94866907
2-chloro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 55723135

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide (CID 114917727) is 2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide is CC(CN1CCOCC1)NC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is YWJRYPVEAWEFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-9(8-18-2-4-20-5-3-18)17-13(19)10-6-12(15)16-7-11(10)14/h6-7,9H,2-5,8H2,1H3,(H,17,19).
What are the key properties of 2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide?
2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 318.20 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-morpholin-4-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114917727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).