N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide

C9H12N2O — CID 57194411

IUPACN-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide
SMILESC=C1C=C(C)NC=C1CNC=O
InChIInChI=1S/C9H12N2O/c1-7-3-8(2)11-5-9(7)4-10-6-12/h3,5-6,11H,1,4H2,2H3,(H,10,12)
InChIKeyBQELRMOKCYVOGS-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.68
Rot. Bonds3

About N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide

N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide (PubChem CID 57194411) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide
PubChem CID57194411
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide
SMILESC=C1C=C(C)NC=C1CNC=O
InChIInChI=1S/C9H12N2O/c1-7-3-8(2)11-5-9(7)4-10-6-12/h3,5-6,11H,1,4H2,2H3,(H,10,12)
InChIKeyBQELRMOKCYVOGS-UHFFFAOYSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1,5-diethyl-2-methyl-2H-pyridin-3-yl)formamide
CID 57234254
N-(4H-quinolizin-1-ylmethyl)formamide
CID 88051471
N-(4-methylcyclohexa-1,3-dien-1-yl)formamide
CID 88870880
N-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide
CID 88930424
N-[3-(aminomethyl)cyclohexa-1,5-dien-1-yl]formamide
CID 89240366
N-(3-isocyanato-6-methylcyclohexa-1,5-dien-1-yl)formamide
CID 89604090
N-(1,2-dihydropyridin-5-ylmethyl)formamide
CID 118422401
N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide
CID 123444825
N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide
CID 130444106
N-[2-[(4Z,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-yl]ethyl]formamide
CID 130444108
N-[2-[[(3Z,5E)-6-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]amino]ethyl]formamide
CID 132096229
N-[(4E,7Z)-4-methyl-8-(methylamino)nona-4,7-dienyl]formamide
CID 134406106

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide?
The IUPAC name of N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide (CID 57194411) is N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide.
What is the SMILES notation for N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide?
The canonical SMILES for N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide is C=C1C=C(C)NC=C1CNC=O.
What is the InChIKey of N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide?
The InChIKey is BQELRMOKCYVOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-3-8(2)11-5-9(7)4-10-6-12/h3,5-6,11H,1,4H2,2H3,(H,10,12).
What are the key properties of N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide?
N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide has a molecular weight of 164.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide is sourced from PubChem (CID 57194411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).