4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide

C19H23N3O — CID 47022569

IUPAC4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(CCc2ccccn2)C2CC2)cc1
InChIInChI=1S/C19H23N3O/c1-20-19(23)16-7-5-15(6-8-16)14-22(18-9-10-18)13-11-17-4-2-3-12-21-17/h2-8,12,18H,9-11,13-14H2,1H3,(H,20,23)
InChIKeyNBVYWTLTUXKNDS-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.65
Rot. Bonds7

About 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide

4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide (PubChem CID 47022569) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide
PubChem CID47022569
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(CCc2ccccn2)C2CC2)cc1
InChIInChI=1S/C19H23N3O/c1-20-19(23)16-7-5-15(6-8-16)14-22(18-9-10-18)13-11-17-4-2-3-12-21-17/h2-8,12,18H,9-11,13-14H2,1H3,(H,20,23)
InChIKeyNBVYWTLTUXKNDS-UHFFFAOYSA-N
XLogP2.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 60892235
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
2-[cyclopentyl(2-pyridin-2-ylethyl)amino]acetic acid
CID 60892049
2-[cyclopropyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]ethanol
CID 110908638
N-[(2S)-3-methyl-1-oxo-1-[4-[2-pyridin-2-ylethyl-[[3-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]amino]piperidin-1-yl]butan-2-yl]benzamide
CID 67197864
2-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42834517
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 62419205
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
N-methyl-4-[(4-pyridin-2-ylpiperidin-1-yl)methyl]benzamide
CID 136517634
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 112799744
N-[(4-fluorophenyl)methyl]-2-(methylamino)-N-(2-pyridin-2-ylethyl)acetamide
CID 119875097
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide (CID 47022569) is 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(CCc2ccccn2)C2CC2)cc1.
What is the InChIKey of 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide?
The InChIKey is NBVYWTLTUXKNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-20-19(23)16-7-5-15(6-8-16)14-22(18-9-10-18)13-11-17-4-2-3-12-21-17/h2-8,12,18H,9-11,13-14H2,1H3,(H,20,23).
What are the key properties of 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide?
4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide has a molecular weight of 309.41 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 47022569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).