6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide

C20H27N5O2 — CID 664534

IUPAC6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNCCCNC(=O)c2ccc(C)nc2)cn1
InChIInChI=1S/C20H27N5O2/c1-15-5-7-17(13-24-15)19(26)22-11-3-9-21-10-4-12-23-20(27)18-8-6-16(2)25-14-18/h5-8,13-14,21H,3-4,9-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyZCBHSROFDOTUIM-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.62
Rot. Bonds10

About 6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide

6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide (PubChem CID 664534) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide
PubChem CID664534
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNCCCNC(=O)c2ccc(C)nc2)cn1
InChIInChI=1S/C20H27N5O2/c1-15-5-7-17(13-24-15)19(26)22-11-3-9-21-10-4-12-23-20(27)18-8-6-16(2)25-14-18/h5-8,13-14,21H,3-4,9-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyZCBHSROFDOTUIM-UHFFFAOYSA-N
XLogP1.62
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-Methylnicotinamide
CID 64950
N,N-Diethylnicotinamide
CID 5497
Daporinad
CID 6914657
Nifenazone
CID 4487
Losmapimod
CID 11552706
Niaprazine
CID 71919
Saruparib
CID 155586901
Nicaraven
CID 71234
N-Ethylnicotinamide
CID 78007
Nicotinanilide
CID 74463
N-(3-Pyridyl)nicotinamide
CID 202725
Lsn2463359
CID 72551298

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide (CID 664534) is 6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCCCNCCCNC(=O)c2ccc(C)nc2)cn1.
What is the InChIKey of 6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide?
The InChIKey is ZCBHSROFDOTUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-5-7-17(13-24-15)19(26)22-11-3-9-21-10-4-12-23-20(27)18-8-6-16(2)25-14-18/h5-8,13-14,21H,3-4,9-12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide?
6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.62, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-[3-[(6-methylpyridine-3-carbonyl)amino]propylamino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 664534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).