N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide

C24H32N4O2 — CID 56808571

IUPACN-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide
SMILESCC1CCN(C(CNC(=O)c2ccc(NC(=O)c3ccncc3)cc2)C(C)C)CC1
InChIInChI=1S/C24H32N4O2/c1-17(2)22(28-14-10-18(3)11-15-28)16-26-23(29)19-4-6-21(7-5-19)27-24(30)20-8-12-25-13-9-20/h4-9,12-13,17-18,22H,10-11,14-16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyOWRDYJJNXPBPIR-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.82
Rot. Bonds7

About N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide

N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide (PubChem CID 56808571) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide
PubChem CID56808571
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide
SMILESCC1CCN(C(CNC(=O)c2ccc(NC(=O)c3ccncc3)cc2)C(C)C)CC1
InChIInChI=1S/C24H32N4O2/c1-17(2)22(28-14-10-18(3)11-15-28)16-26-23(29)19-4-6-21(7-5-19)27-24(30)20-8-12-25-13-9-20/h4-9,12-13,17-18,22H,10-11,14-16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyOWRDYJJNXPBPIR-UHFFFAOYSA-N
XLogP3.82
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide with MolForge

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Related Compounds

3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55658240
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119849842
2-hydroxy-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 39111251
N-[4-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25473941
4-chloro-N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-4-oxobutyl]benzamide
CID 55657950
N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 39113519
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 60510665
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119946551
3-(methoxymethyl)-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 51941744
N-[4-[(3-methyl-2-morpholin-4-ylbutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18153813
N-[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]pyridine-4-carboxamide
CID 98719912
2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride
CID 119849811

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide (CID 56808571) is N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide is CC1CCN(C(CNC(=O)c2ccc(NC(=O)c3ccncc3)cc2)C(C)C)CC1.
What is the InChIKey of N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is OWRDYJJNXPBPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-17(2)22(28-14-10-18(3)11-15-28)16-26-23(29)19-4-6-21(7-5-19)27-24(30)20-8-12-25-13-9-20/h4-9,12-13,17-18,22H,10-11,14-16H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide?
N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 56808571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).