[6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone

C17H27ClN4O2 — CID 164632757

IUPAC[6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCC[C@H](C)N(C)CCNc1ncc(C(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C17H27ClN4O2/c1-4-13(2)21(3)6-5-19-16-15(18)11-14(12-20-16)17(23)22-7-9-24-10-8-22/h11-13H,4-10H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyWVOJZMRDNWBIDR-ZDUSSCGKSA-N
MW354.88 g/mol
LogP2.35
Rot. Bonds7

About [6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone

[6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 164632757) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is [6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID164632757
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name[6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCC[C@H](C)N(C)CCNc1ncc(C(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C17H27ClN4O2/c1-4-13(2)21(3)6-5-19-16-15(18)11-14(12-20-16)17(23)22-7-9-24-10-8-22/h11-13H,4-10H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyWVOJZMRDNWBIDR-ZDUSSCGKSA-N
XLogP2.35
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
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-[(3-methyl-2-morpholin-4-ylbutyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 128945642
[5-chloro-6-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133417484
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
CID 133273291
[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273341
[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273421
[5-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133405667

Frequently Asked Questions

What is the IUPAC name of [6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone (CID 164632757) is [6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone is CC[C@H](C)N(C)CCNc1ncc(C(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of [6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is WVOJZMRDNWBIDR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27ClN4O2/c1-4-13(2)21(3)6-5-19-16-15(18)11-14(12-20-16)17(23)22-7-9-24-10-8-22/h11-13H,4-10H2,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of [6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 354.88 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 164632757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).