6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide

C18H20N4O4 — CID 8990949

IUPAC6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)c2cccc([N+](=O)[O-])c2C)cn1
InChIInChI=1S/C18H20N4O4/c1-12-7-8-14(11-21-12)17(23)19-9-4-10-20-18(24)15-5-3-6-16(13(15)2)22(25)26/h3,5-8,11H,4,9-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyRJWGHZWDZNHMQR-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.16
Rot. Bonds7

About 6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide

6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide (PubChem CID 8990949) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide
PubChem CID8990949
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)c2cccc([N+](=O)[O-])c2C)cn1
InChIInChI=1S/C18H20N4O4/c1-12-7-8-14(11-21-12)17(23)19-9-4-10-20-18(24)15-5-3-6-16(13(15)2)22(25)26/h3,5-8,11H,4,9-10H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyRJWGHZWDZNHMQR-UHFFFAOYSA-N
XLogP2.16
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-(3-methoxypropyl)-2-methyl-3-nitrobenzamide
CID 2223736
N-(4-aminobutyl)-2-methyl-3-nitrobenzamide
CID 60895227
2-methyl-3-nitro-N-nonylbenzamide
CID 4171333
N-(6-aminohexyl)-2-methyl-3-nitrobenzamide
CID 108786358
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
N-(4-bromopentyl)-2-methyl-3-nitrobenzamide
CID 106130405
6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 8990926
N-(3-ethoxypropyl)-2-methyl-3-nitrobenzamide
CID 2172330
methyl 6-[(2-methyl-3-nitrobenzoyl)amino]hexanoate
CID 31541051
6-methyl-N-[2-(naphthalene-1-carbonylamino)ethyl]pyridine-3-carboxamide
CID 8990934
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide (CID 8990949) is 6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCCCNC(=O)c2cccc([N+](=O)[O-])c2C)cn1.
What is the InChIKey of 6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide?
The InChIKey is RJWGHZWDZNHMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12-7-8-14(11-21-12)17(23)19-9-4-10-20-18(24)15-5-3-6-16(13(15)2)22(25)26/h3,5-8,11H,4,9-10H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide?
6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 8990949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).