N-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide

C26H31N5O — CID 71462238

IUPACN-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
SMILESCCN(C)Cc1ccc(N2CCC(NC(=O)c3cccc(-c4cccnc4)c3)CC2)nc1
InChIInChI=1S/C26H31N5O/c1-3-30(2)19-20-9-10-25(28-17-20)31-14-11-24(12-15-31)29-26(32)22-7-4-6-21(16-22)23-8-5-13-27-18-23/h4-10,13,16-18,24H,3,11-12,14-15,19H2,1-2H3,(H,29,32)
InChIKeyXWDMSWUZBOPIGQ-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.99
Rot. Bonds7

About N-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide

N-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide (PubChem CID 71462238) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
PubChem CID71462238
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC NameN-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
SMILESCCN(C)Cc1ccc(N2CCC(NC(=O)c3cccc(-c4cccnc4)c3)CC2)nc1
InChIInChI=1S/C26H31N5O/c1-3-30(2)19-20-9-10-25(28-17-20)31-14-11-24(12-15-31)29-26(32)22-7-4-6-21(16-22)23-8-5-13-27-18-23/h4-10,13,16-18,24H,3,11-12,14-15,19H2,1-2H3,(H,29,32)
InChIKeyXWDMSWUZBOPIGQ-UHFFFAOYSA-N
XLogP3.99
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Difenpiramide
CID 100472
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
N-(4-(1-Cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide
CID 11315474
BPKDi
CID 46901383
N-(pyridin-2-yl)benzamide
CID 219990
Piketoprofen
CID 68801
2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
4-propan-2-yl-N-pyridin-2-ylbenzamide
CID 898760
Imnopitant
CID 9808518
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
AF-DX-384
CID 119357
N-[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788941

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
The IUPAC name of N-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide (CID 71462238) is N-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
The canonical SMILES for N-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide is CCN(C)Cc1ccc(N2CCC(NC(=O)c3cccc(-c4cccnc4)c3)CC2)nc1.
What is the InChIKey of N-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
The InChIKey is XWDMSWUZBOPIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-3-30(2)19-20-9-10-25(28-17-20)31-14-11-24(12-15-31)29-26(32)22-7-4-6-21(16-22)23-8-5-13-27-18-23/h4-10,13,16-18,24H,3,11-12,14-15,19H2,1-2H3,(H,29,32).
What are the key properties of N-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide?
N-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide has a molecular weight of 429.57 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[[ethyl(methyl)amino]methyl]-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 71462238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).