3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide

C20H26N6O4 — CID 22046301

IUPAC3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide
SMILESCOc1cc(C(=O)NCCCN2CCOCC2)ccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C20H26N6O4/c1-29-17-13-15(19(27)23-5-2-8-26-9-11-30-12-10-26)3-4-16(17)24-20(28)25-18-14-21-6-7-22-18/h3-4,6-7,13-14H,2,5,8-12H2,1H3,(H,23,27)(H2,22,24,25,28)
InChIKeyIPUUSLJJMAPUCN-UHFFFAOYSA-N
MW414.47 g/mol
LogP1.58
Rot. Bonds8

About 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide

3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide (PubChem CID 22046301) has the molecular formula C20H26N6O4 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide
PubChem CID22046301
Molecular FormulaC20H26N6O4
Molecular Weight414.47 g/mol
Exact Mass414.20
IUPAC Name3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide
SMILESCOc1cc(C(=O)NCCCN2CCOCC2)ccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C20H26N6O4/c1-29-17-13-15(19(27)23-5-2-8-26-9-11-30-12-10-26)3-4-16(17)24-20(28)25-18-14-21-6-7-22-18/h3-4,6-7,13-14H,2,5,8-12H2,1H3,(H,23,27)(H2,22,24,25,28)
InChIKeyIPUUSLJJMAPUCN-UHFFFAOYSA-N
XLogP1.58
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide
CID 22046512
2-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167991
1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-pyrazin-2-ylurea
CID 22046416
1-[5-chloro-2-(3-morpholin-4-ylpropyl)phenyl]-3-pyrazin-2-ylurea
CID 58842152
4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide
CID 55742240
3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide
CID 7618847
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide
CID 91485425
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
4-[[(Z)-N'-(4-cyclopentyl-1,2-dimethyl-7-oxo-5,6-dihydro-1,4-diazepin-3-yl)-N-methylidenecarbamimidoyl]amino]-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 25006767
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide?
The IUPAC name of 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide (CID 22046301) is 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide?
The canonical SMILES for 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide is COc1cc(C(=O)NCCCN2CCOCC2)ccc1NC(=O)Nc1cnccn1.
What is the InChIKey of 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide?
The InChIKey is IPUUSLJJMAPUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O4/c1-29-17-13-15(19(27)23-5-2-8-26-9-11-30-12-10-26)3-4-16(17)24-20(28)25-18-14-21-6-7-22-18/h3-4,6-7,13-14H,2,5,8-12H2,1H3,(H,23,27)(H2,22,24,25,28).
What are the key properties of 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide?
3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide has a molecular weight of 414.47 g/mol, XLogP of 1.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 22046301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).