N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide

C21H26N4O2 — CID 108924742

IUPACN-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)N2CCC(CNC(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-24(2)19-7-5-17(6-8-19)21(27)25-12-9-16(10-13-25)14-23-20(26)18-4-3-11-22-15-18/h3-8,11,15-16H,9-10,12-14H2,1-2H3,(H,23,26)
InChIKeyUGOQUKRGJNCPED-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.43
Rot. Bonds5

About N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide

N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 108924742) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
PubChem CID108924742
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)N2CCC(CNC(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-24(2)19-7-5-17(6-8-19)21(27)25-12-9-16(10-13-25)14-23-20(26)18-4-3-11-22-15-18/h3-8,11,15-16H,9-10,12-14H2,1-2H3,(H,23,26)
InChIKeyUGOQUKRGJNCPED-UHFFFAOYSA-N
XLogP2.43
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591
[3-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927242
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 90521319
N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924696
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521364

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide (CID 108924742) is N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide is CN(C)c1ccc(C(=O)N2CCC(CNC(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is UGOQUKRGJNCPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24(2)19-7-5-17(6-8-19)21(27)25-12-9-16(10-13-25)14-23-20(26)18-4-3-11-22-15-18/h3-8,11,15-16H,9-10,12-14H2,1-2H3,(H,23,26).
What are the key properties of N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108924742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).