2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide

C14H13N3O2 — CID 138652624

IUPAC2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide
SMILESCc1ccc(NC(=O)c2cc(N=O)ccc2C)cn1
InChIInChI=1S/C14H13N3O2/c1-9-3-5-11(17-19)7-13(9)14(18)16-12-6-4-10(2)15-8-12/h3-8H,1-2H3,(H,16,18)
InChIKeyYZFCMSSPYCXRJG-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.35
Rot. Bonds3

About 2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide

2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide (PubChem CID 138652624) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide
PubChem CID138652624
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide
SMILESCc1ccc(NC(=O)c2cc(N=O)ccc2C)cn1
InChIInChI=1S/C14H13N3O2/c1-9-3-5-11(17-19)7-13(9)14(18)16-12-6-4-10(2)15-8-12/h3-8H,1-2H3,(H,16,18)
InChIKeyYZFCMSSPYCXRJG-UHFFFAOYSA-N
XLogP3.35
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 106502027
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
2-fluoro-4-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 107676762
5-(but-3-en-2-ylideneamino)-N-[2-(but-3-en-2-ylideneamino)pyrimidin-5-yl]-2-methylbenzamide
CID 123695650
5-amino-2-chloro-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 114046022
3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide
CID 107121288
2-methyl-5-nitrosobenzamide
CID 142265489
4-iodo-N-(6-methyl-3-pyridinyl)benzamide
CID 59706920
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339399
2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide
CID 107028520
2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 104699464

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide?
The IUPAC name of 2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide (CID 138652624) is 2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide.
What is the SMILES notation for 2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide?
The canonical SMILES for 2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide is Cc1ccc(NC(=O)c2cc(N=O)ccc2C)cn1.
What is the InChIKey of 2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide?
The InChIKey is YZFCMSSPYCXRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-3-5-11(17-19)7-13(9)14(18)16-12-6-4-10(2)15-8-12/h3-8H,1-2H3,(H,16,18).
What are the key properties of 2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide?
2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide has a molecular weight of 255.28 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methyl-3-pyridinyl)-5-nitrosobenzamide is sourced from PubChem (CID 138652624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).