N-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide

C24H27N3O2 — CID 153360798

IUPACN-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)NCC3=CCCN=C3C)cc2)cc1
InChIInChI=1S/C24H27N3O2/c1-4-23(28)27(3)22-13-11-19(12-14-22)18-7-9-20(10-8-18)24(29)26-16-21-6-5-15-25-17(21)2/h6-14H,4-5,15-16H2,1-3H3,(H,26,29)
InChIKeyWDDPGMPCRNVTSW-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.25
Rot. Bonds6

About N-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide

N-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide (PubChem CID 153360798) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide
PubChem CID153360798
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)NCC3=CCCN=C3C)cc2)cc1
InChIInChI=1S/C24H27N3O2/c1-4-23(28)27(3)22-13-11-19(12-14-22)18-7-9-20(10-8-18)24(29)26-16-21-6-5-15-25-17(21)2/h6-14H,4-5,15-16H2,1-3H3,(H,26,29)
InChIKeyWDDPGMPCRNVTSW-UHFFFAOYSA-N
XLogP4.25
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide
CID 153360624
6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884723
N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide
CID 167590752
N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide
CID 164884754
ethane;ethyl 4-[methyl(propanoyl)amino]benzoate
CID 143419457
4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 153360717
4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360723
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 147449748
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-3-fluorophenyl]-N-methylpropanamide
CID 167703750
6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360908

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide?
The IUPAC name of N-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide (CID 153360798) is N-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide.
What is the SMILES notation for N-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide?
The canonical SMILES for N-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)NCC3=CCCN=C3C)cc2)cc1.
What is the InChIKey of N-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide?
The InChIKey is WDDPGMPCRNVTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-23(28)27(3)22-13-11-19(12-14-22)18-7-9-20(10-8-18)24(29)26-16-21-6-5-15-25-17(21)2/h6-14H,4-5,15-16H2,1-3H3,(H,26,29).
What are the key properties of N-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide?
N-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide is sourced from PubChem (CID 153360798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).