3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide

C25H29N3O — CID 165119073

IUPAC3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(C3=CCNCC3)cc2)ccc1C1=CCN(C)CC1
InChIInChI=1S/C25H29N3O/c1-18-17-22(5-8-24(18)21-11-15-28(2)16-12-21)25(29)27-23-6-3-19(4-7-23)20-9-13-26-14-10-20/h3-9,11,17,26H,10,12-16H2,1-2H3,(H,27,29)
InChIKeyAXNNYRNFFJDQJH-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.34
Rot. Bonds4

About 3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide

3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide (PubChem CID 165119073) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide
PubChem CID165119073
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(C3=CCNCC3)cc2)ccc1C1=CCN(C)CC1
InChIInChI=1S/C25H29N3O/c1-18-17-22(5-8-24(18)21-11-15-28(2)16-12-21)25(29)27-23-6-3-19(4-7-23)20-9-13-26-14-10-20/h3-9,11,17,26H,10,12-16H2,1-2H3,(H,27,29)
InChIKeyAXNNYRNFFJDQJH-UHFFFAOYSA-N
XLogP4.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 165118046
N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118625
N-[3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]formamide
CID 165118334
3-fluoro-N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;(Z,3E)-3-hydrazinylideneprop-1-en-1-amine
CID 165118361
N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118667
2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(3-methyl-4-piperazin-1-ylphenyl)benzamide
CID 165118775
N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118090
N-[3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769556
4-(1-carbamimidoyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1-carbamimidoyl-3,6-dihydro-2H-pyridin-4-yl)-3-methoxyphenyl]-3-methylbenzamide
CID 165118340
3-chloro-N-[3-chloro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769493
4-[[3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]carbamoyl]benzoic acid
CID 172815162
3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]benzamide
CID 165119006

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide?
The IUPAC name of 3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide (CID 165119073) is 3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide?
The canonical SMILES for 3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide is Cc1cc(C(=O)Nc2ccc(C3=CCNCC3)cc2)ccc1C1=CCN(C)CC1.
What is the InChIKey of 3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide?
The InChIKey is AXNNYRNFFJDQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-18-17-22(5-8-24(18)21-11-15-28(2)16-12-21)25(29)27-23-6-3-19(4-7-23)20-9-13-26-14-10-20/h3-9,11,17,26H,10,12-16H2,1-2H3,(H,27,29).
What are the key properties of 3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide?
3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide has a molecular weight of 387.53 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide is sourced from PubChem (CID 165119073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).