N-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide

C8H12N2O — CID 134406669

IUPACN-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide
SMILESCC1=CC=C(N(C)C=O)CN1
InChIInChI=1S/C8H12N2O/c1-7-3-4-8(5-9-7)10(2)6-11/h3-4,6,9H,5H2,1-2H3
InChIKeyDSRUWCBIVWWOON-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.47
Rot. Bonds2

About N-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide

N-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide (PubChem CID 134406669) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide.

Molecular Properties

Compound NameN-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide
PubChem CID134406669
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide
SMILESCC1=CC=C(N(C)C=O)CN1
InChIInChI=1S/C8H12N2O/c1-7-3-4-8(5-9-7)10(2)6-11/h3-4,6,9H,5H2,1-2H3
InChIKeyDSRUWCBIVWWOON-UHFFFAOYSA-N
XLogP0.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide?
The IUPAC name of N-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide (CID 134406669) is N-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide.
What is the SMILES notation for N-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide?
The canonical SMILES for N-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide is CC1=CC=C(N(C)C=O)CN1.
What is the InChIKey of N-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide?
The InChIKey is DSRUWCBIVWWOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7-3-4-8(5-9-7)10(2)6-11/h3-4,6,9H,5H2,1-2H3.
What are the key properties of N-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide?
N-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide has a molecular weight of 152.20 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-methyl-1,2-dihydropyridin-3-yl)formamide is sourced from PubChem (CID 134406669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).