[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C17H24ClN3O2 — CID 133293714

IUPAC[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCC1(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)CCCC1
InChIInChI=1S/C17H24ClN3O2/c1-17(4-2-3-5-17)12-20-15-14(18)10-13(11-19-15)16(22)21-6-8-23-9-7-21/h10-11H,2-9,12H2,1H3,(H,19,20)
InChIKeyAHTQCUARUUUTJI-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.20
Rot. Bonds4

About [5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133293714) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is [5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133293714
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCC1(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)CCCC1
InChIInChI=1S/C17H24ClN3O2/c1-17(4-2-3-5-17)12-20-15-14(18)10-13(11-19-15)16(22)21-6-8-23-9-7-21/h10-11H,2-9,12H2,1H3,(H,19,20)
InChIKeyAHTQCUARUUUTJI-UHFFFAOYSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133491923
[5-chloro-6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273331
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
N-[2-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]ethyl]-2,2-dimethylpropanamide
CID 133326860
3-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-2-hydroxy-N-methylpropanamide
CID 126813265
[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273421
[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273341
[5-chloro-6-[[3-(hydroxymethyl)oxetan-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133399112
[5-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133405667
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273306

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133293714) is [5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is CC1(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)CCCC1.
What is the InChIKey of [5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is AHTQCUARUUUTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-17(4-2-3-5-17)12-20-15-14(18)10-13(11-19-15)16(22)21-6-8-23-9-7-21/h10-11H,2-9,12H2,1H3,(H,19,20).
What are the key properties of [5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 337.85 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133293714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).