N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide

C19H26N6O3 — CID 91485425

IUPACN-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide
SMILESCOCc1ccc(C(=O)NCCCN(C)C)cc1NC(=O)Nc1cnccn1
InChIInChI=1S/C19H26N6O3/c1-25(2)10-4-7-22-18(26)14-5-6-15(13-28-3)16(11-14)23-19(27)24-17-12-20-8-9-21-17/h5-6,8-9,11-12H,4,7,10,13H2,1-3H3,(H,22,26)(H2,21,23,24,27)
InChIKeyINUPHZOZVJBLSM-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.95
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide

N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide (PubChem CID 91485425) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide
PubChem CID91485425
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC NameN-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide
SMILESCOCc1ccc(C(=O)NCCCN(C)C)cc1NC(=O)Nc1cnccn1
InChIInChI=1S/C19H26N6O3/c1-25(2)10-4-7-22-18(26)14-5-6-15(13-28-3)16(11-14)23-19(27)24-17-12-20-8-9-21-17/h5-6,8-9,11-12H,4,7,10,13H2,1-3H3,(H,22,26)(H2,21,23,24,27)
InChIKeyINUPHZOZVJBLSM-UHFFFAOYSA-N
XLogP1.95
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea
CID 110492155
4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen
CID 142167548
N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide
CID 110485149
3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide
CID 22046301
1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea
CID 58842168
N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide
CID 22046512
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109168244
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide (CID 91485425) is N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide is COCc1ccc(C(=O)NCCCN(C)C)cc1NC(=O)Nc1cnccn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide?
The InChIKey is INUPHZOZVJBLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-25(2)10-4-7-22-18(26)14-5-6-15(13-28-3)16(11-14)23-19(27)24-17-12-20-8-9-21-17/h5-6,8-9,11-12H,4,7,10,13H2,1-3H3,(H,22,26)(H2,21,23,24,27).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide?
N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide has a molecular weight of 386.46 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 91485425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).