N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide

C16H17N3O2 — CID 110743929

IUPACN-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCN(Cc1cccnc1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-19(12-13-6-5-9-17-10-13)15(20)11-18-16(21)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,18,21)
InChIKeyRLHCCLWNKCCQEK-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.47
Rot. Bonds5

About N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide

N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide (PubChem CID 110743929) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
PubChem CID110743929
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCN(Cc1cccnc1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H17N3O2/c1-19(12-13-6-5-9-17-10-13)15(20)11-18-16(21)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,18,21)
InChIKeyRLHCCLWNKCCQEK-UHFFFAOYSA-N
XLogP1.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887
4-bromo-N-[3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropyl]benzamide
CID 78770733
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-[2-[octyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]pyridine-3-carboxamide
CID 42778869
2-chloro-4-fluoro-5-methyl-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 75380208
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
N-[[(1S,4S,6S)-3-methyl-4-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide
CID 38029234
2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 119958237

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide (CID 110743929) is N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide is CN(Cc1cccnc1)C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is RLHCCLWNKCCQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(12-13-6-5-9-17-10-13)15(20)11-18-16(21)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,18,21).
What are the key properties of N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide?
N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 110743929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).