3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one

C12H16ClN3O2 — CID 112697162

IUPAC3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNc1ccncc1Cl)N1CCOCC1
InChIInChI=1S/C12H16ClN3O2/c13-10-9-14-3-1-11(10)15-4-2-12(17)16-5-7-18-8-6-16/h1,3,9H,2,4-8H2,(H,14,15)
InChIKeyCGQMBJJEUKIXBW-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.40
Rot. Bonds4

About 3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one

3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 112697162) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID112697162
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNc1ccncc1Cl)N1CCOCC1
InChIInChI=1S/C12H16ClN3O2/c13-10-9-14-3-1-11(10)15-4-2-12(17)16-5-7-18-8-6-16/h1,3,9H,2,4-8H2,(H,14,15)
InChIKeyCGQMBJJEUKIXBW-UHFFFAOYSA-N
XLogP1.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-4-carboxamide
CID 115667142
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)pyridine-3-carboxamide
CID 115868328
3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 105369598
5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one
CID 112683993
3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 104777246
1-morpholin-4-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 112695183
3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112692551
4-[[(3-chloro-4-pyridinyl)amino]methyl]oxane-4-carboxamide
CID 84595497
3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013396
(4-chloro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 81226471
N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456922
3-[(3-amino-5-chloro-4-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114285890

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one (CID 112697162) is 3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one is O=C(CCNc1ccncc1Cl)N1CCOCC1.
What is the InChIKey of 3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is CGQMBJJEUKIXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-10-9-14-3-1-11(10)15-4-2-12(17)16-5-7-18-8-6-16/h1,3,9H,2,4-8H2,(H,14,15).
What are the key properties of 3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one?
3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 269.73 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 112697162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).