4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide

C20H23ClN4O3 — CID 133273291

IUPAC4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)cc1
InChIInChI=1S/C20H23ClN4O3/c1-2-22-19(26)15-5-3-14(4-6-15)12-23-18-17(21)11-16(13-24-18)20(27)25-7-9-28-10-8-25/h3-6,11,13H,2,7-10,12H2,1H3,(H,22,26)(H,23,24)
InChIKeyLLIHXQNUGAIPBB-UHFFFAOYSA-N
MW402.88 g/mol
LogP2.57
Rot. Bonds6

About 4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide

4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide (PubChem CID 133273291) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is 4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
PubChem CID133273291
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC Name4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)cc1
InChIInChI=1S/C20H23ClN4O3/c1-2-22-19(26)15-5-3-14(4-6-15)12-23-18-17(21)11-16(13-24-18)20(27)25-7-9-28-10-8-25/h3-6,11,13H,2,7-10,12H2,1H3,(H,22,26)(H,23,24)
InChIKeyLLIHXQNUGAIPBB-UHFFFAOYSA-N
XLogP2.57
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273421
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273306
[5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273389
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273341
N-[2-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]ethyl]-2,2-dimethylpropanamide
CID 133326860
[5-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133405667
[5-chloro-6-[(3-fluoro-4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271107
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
[5-chloro-6-[(2-nitrophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273334

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide?
The IUPAC name of 4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide (CID 133273291) is 4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide?
The canonical SMILES for 4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide is CCNC(=O)c1ccc(CNc2ncc(C(=O)N3CCOCC3)cc2Cl)cc1.
What is the InChIKey of 4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide?
The InChIKey is LLIHXQNUGAIPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-2-22-19(26)15-5-3-14(4-6-15)12-23-18-17(21)11-16(13-24-18)20(27)25-7-9-28-10-8-25/h3-6,11,13H,2,7-10,12H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide?
4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide has a molecular weight of 402.88 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 133273291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).