N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide

C17H18N2O — CID 47011273

IUPACN-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1
InChIInChI=1S/C17H18N2O/c1-13-2-4-15(5-3-13)17(20)19(16-6-7-16)12-14-8-10-18-11-9-14/h2-5,8-11,16H,6-7,12H2,1H3
InChIKeyDSBXNYNWVBQQDY-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.19
Rot. Bonds4

About N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide

N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 47011273) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID47011273
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1
InChIInChI=1S/C17H18N2O/c1-13-2-4-15(5-3-13)17(20)19(16-6-7-16)12-14-8-10-18-11-9-14/h2-5,8-11,16H,6-7,12H2,1H3
InChIKeyDSBXNYNWVBQQDY-UHFFFAOYSA-N
XLogP3.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279
N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32589817
N-cyclopropyl-4-(1,3-dithiolan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 86919919
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 81229618
3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66484894
N-[[4-[4-(2-hydroxyethoxy)phenyl]phenyl]methyl]-4-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 142128591
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 92597147
N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide
CID 60674055
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55589101
N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide
CID 86852999

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide (CID 47011273) is N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide is Cc1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is DSBXNYNWVBQQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-2-4-15(5-3-13)17(20)19(16-6-7-16)12-14-8-10-18-11-9-14/h2-5,8-11,16H,6-7,12H2,1H3.
What are the key properties of N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide?
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 47011273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).