N-methyl-N-(2H-pyridin-1-ylmethyl)formamide

C8H12N2O — CID 22403936

IUPACN-methyl-N-(2H-pyridin-1-ylmethyl)formamide
SMILESCN(C=O)CN1C=CC=CC1
InChIInChI=1S/C8H12N2O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-5,8H,6-7H2,1H3
InChIKeyWEDFFRKHQNIVEZ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.42
Rot. Bonds3

About N-methyl-N-(2H-pyridin-1-ylmethyl)formamide

N-methyl-N-(2H-pyridin-1-ylmethyl)formamide (PubChem CID 22403936) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-methyl-N-(2H-pyridin-1-ylmethyl)formamide.

Molecular Properties

Compound NameN-methyl-N-(2H-pyridin-1-ylmethyl)formamide
PubChem CID22403936
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-methyl-N-(2H-pyridin-1-ylmethyl)formamide
SMILESCN(C=O)CN1C=CC=CC1
InChIInChI=1S/C8H12N2O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-5,8H,6-7H2,1H3
InChIKeyWEDFFRKHQNIVEZ-UHFFFAOYSA-N
XLogP0.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.42
H-Bond Donors ≤ 50
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-(2H-pyridin-1-ylmethyl)formamide?
The IUPAC name of N-methyl-N-(2H-pyridin-1-ylmethyl)formamide (CID 22403936) is N-methyl-N-(2H-pyridin-1-ylmethyl)formamide.
What is the SMILES notation for N-methyl-N-(2H-pyridin-1-ylmethyl)formamide?
The canonical SMILES for N-methyl-N-(2H-pyridin-1-ylmethyl)formamide is CN(C=O)CN1C=CC=CC1.
What is the InChIKey of N-methyl-N-(2H-pyridin-1-ylmethyl)formamide?
The InChIKey is WEDFFRKHQNIVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-5,8H,6-7H2,1H3.
What are the key properties of N-methyl-N-(2H-pyridin-1-ylmethyl)formamide?
N-methyl-N-(2H-pyridin-1-ylmethyl)formamide has a molecular weight of 152.20 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2H-pyridin-1-ylmethyl)formamide is sourced from PubChem (CID 22403936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).