N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

C20H22N6O2 — CID 56705378

IUPACN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESO=C(NCc1cccnc1-n1ccnc1)C(c1cccnc1)N1CCOCC1
InChIInChI=1S/C20H22N6O2/c27-20(18(16-3-1-5-21-13-16)25-9-11-28-12-10-25)24-14-17-4-2-6-23-19(17)26-8-7-22-15-26/h1-8,13,15,18H,9-12,14H2,(H,24,27)
InChIKeyJWGOHWAGNZABBQ-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.35
Rot. Bonds6

About N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (PubChem CID 56705378) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
PubChem CID56705378
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESO=C(NCc1cccnc1-n1ccnc1)C(c1cccnc1)N1CCOCC1
InChIInChI=1S/C20H22N6O2/c27-20(18(16-3-1-5-21-13-16)25-9-11-28-12-10-25)24-14-17-4-2-6-23-19(17)26-8-7-22-15-26/h1-8,13,15,18H,9-12,14H2,(H,24,27)
InChIKeyJWGOHWAGNZABBQ-UHFFFAOYSA-N
XLogP1.35
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-[(2,4-difluorophenyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97131048
(2R)-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 97207664
(2R)-N-[2-(2-fluorophenyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97192696
N-[2-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72889150
N-(cyclohexen-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 56755952
(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97268430
2-morpholin-4-yl-N-[(1-phenyltetrazol-5-yl)methyl]-2-pyridin-3-ylacetamide
CID 72904137
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72855093
(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
N-[2-(dimethylsulfamoyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 74234487
N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72920922
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 118795714

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (CID 56705378) is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is O=C(NCc1cccnc1-n1ccnc1)C(c1cccnc1)N1CCOCC1.
What is the InChIKey of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The InChIKey is JWGOHWAGNZABBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-20(18(16-3-1-5-21-13-16)25-9-11-28-12-10-25)24-14-17-4-2-6-23-19(17)26-8-7-22-15-26/h1-8,13,15,18H,9-12,14H2,(H,24,27).
What are the key properties of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide has a molecular weight of 378.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 56705378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).