4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide

C26H29N3O — CID 153360717

IUPAC4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCCC1(N(C)c2ccc(-c3ccc(C(=O)NCc4ccc(C)nc4)cc3)cc2)CC1
InChIInChI=1S/C26H29N3O/c1-4-26(15-16-26)29(3)24-13-11-22(12-14-24)21-7-9-23(10-8-21)25(30)28-18-20-6-5-19(2)27-17-20/h5-14,17H,4,15-16,18H2,1-3H3,(H,28,30)
InChIKeyNCTCVBOWAJBPEJ-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.37
Rot. Bonds7

About 4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide

4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 153360717) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
PubChem CID153360717
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCCC1(N(C)c2ccc(-c3ccc(C(=O)NCc4ccc(C)nc4)cc3)cc2)CC1
InChIInChI=1S/C26H29N3O/c1-4-26(15-16-26)29(3)24-13-11-22(12-14-24)21-7-9-23(10-8-21)25(30)28-18-20-6-5-19(2)27-17-20/h5-14,17H,4,15-16,18H2,1-3H3,(H,28,30)
InChIKeyNCTCVBOWAJBPEJ-UHFFFAOYSA-N
XLogP5.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N-dimethyl-5-(4-methylphenyl)-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,3-dicarboxamide
CID 58188040
3-(4-ethylphenyl)-5-[4-(hydroxymethyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 143959958
N-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712353
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 18154708
N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47227479
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
4-hydrazinyl-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 63212635
1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583859
3-(4-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzamide
CID 45137636
6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 118500223

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide (CID 153360717) is 4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide is CCC1(N(C)c2ccc(-c3ccc(C(=O)NCc4ccc(C)nc4)cc3)cc2)CC1.
What is the InChIKey of 4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is NCTCVBOWAJBPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-4-26(15-16-26)29(3)24-13-11-22(12-14-24)21-7-9-23(10-8-21)25(30)28-18-20-6-5-19(2)27-17-20/h5-14,17H,4,15-16,18H2,1-3H3,(H,28,30).
What are the key properties of 4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 399.54 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-ethylcyclopropyl)-methylamino]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 153360717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).