2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide

C21H26N4O4 — CID 32584361

IUPAC2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C21H26N4O4/c1-28-18-5-3-2-4-17(18)21(27)23-9-7-20(26)24-15-16-6-8-22-19(14-16)25-10-12-29-13-11-25/h2-6,8,14H,7,9-13,15H2,1H3,(H,23,27)(H,24,26)
InChIKeyOFSBCZLLRPJVEK-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.36
Rot. Bonds8

About 2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide

2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide (PubChem CID 32584361) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide
PubChem CID32584361
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C21H26N4O4/c1-28-18-5-3-2-4-17(18)21(27)23-9-7-20(26)24-15-16-6-8-22-19(14-16)25-10-12-29-13-11-25/h2-6,8,14H,7,9-13,15H2,1H3,(H,23,27)(H,24,26)
InChIKeyOFSBCZLLRPJVEK-UHFFFAOYSA-N
XLogP1.36
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 32586659
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946489
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 33031482
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
N-[(2-fluorophenyl)methyl]-3-(2-morpholin-4-yl-4-pyridinyl)propanamide
CID 53186022
N-[(2-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185909
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 32587833
(E)-3-(2-methoxy-5-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]prop-2-enamide
CID 33030298
5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 32588419

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide (CID 32584361) is 2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide is COc1ccccc1C(=O)NCCC(=O)NCc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide?
The InChIKey is OFSBCZLLRPJVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-28-18-5-3-2-4-17(18)21(27)23-9-7-20(26)24-15-16-6-8-22-19(14-16)25-10-12-29-13-11-25/h2-6,8,14H,7,9-13,15H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide?
2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide has a molecular weight of 398.46 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 32584361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).