4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide

C20H27N3O — CID 94822134

IUPAC4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide
SMILESCCN(Cc1ccc(C(=O)N[C@@H](C)c2cccnc2)cc1)C(C)C
InChIInChI=1S/C20H27N3O/c1-5-23(15(2)3)14-17-8-10-18(11-9-17)20(24)22-16(4)19-7-6-12-21-13-19/h6-13,15-16H,5,14H2,1-4H3,(H,22,24)/t16-/m0/s1
InChIKeyHPKSRJFGHKVBDR-INIZCTEOSA-N
MW325.46 g/mol
LogP3.80
Rot. Bonds7

About 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide

4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide (PubChem CID 94822134) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide
PubChem CID94822134
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide
SMILESCCN(Cc1ccc(C(=O)N[C@@H](C)c2cccnc2)cc1)C(C)C
InChIInChI=1S/C20H27N3O/c1-5-23(15(2)3)14-17-8-10-18(11-9-17)20(24)22-16(4)19-7-6-12-21-13-19/h6-13,15-16H,5,14H2,1-4H3,(H,22,24)/t16-/m0/s1
InChIKeyHPKSRJFGHKVBDR-INIZCTEOSA-N
XLogP3.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 39952477
4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193149
4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 52516146
3-(diethylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18162957
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
6-fluoro-N-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 63971799
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide (CID 94822134) is 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide is CCN(Cc1ccc(C(=O)N[C@@H](C)c2cccnc2)cc1)C(C)C.
What is the InChIKey of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The InChIKey is HPKSRJFGHKVBDR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-23(15(2)3)14-17-8-10-18(11-9-17)20(24)22-16(4)19-7-6-12-21-13-19/h6-13,15-16H,5,14H2,1-4H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide has a molecular weight of 325.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 94822134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).