N-[(5-methyl-3-pyridinyl)methyl]formamide

C8H10N2O — CID 142430826

IUPACN-[(5-methyl-3-pyridinyl)methyl]formamide
SMILESCc1cncc(CNC=O)c1
InChIInChI=1S/C8H10N2O/c1-7-2-8(4-9-3-7)5-10-6-11/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyWJJXCYNVEZXMBO-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.64
Rot. Bonds3

About N-[(5-methyl-3-pyridinyl)methyl]formamide

N-[(5-methyl-3-pyridinyl)methyl]formamide (PubChem CID 142430826) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N-[(5-methyl-3-pyridinyl)methyl]formamide.

Molecular Properties

Compound NameN-[(5-methyl-3-pyridinyl)methyl]formamide
PubChem CID142430826
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN-[(5-methyl-3-pyridinyl)methyl]formamide
SMILESCc1cncc(CNC=O)c1
InChIInChI=1S/C8H10N2O/c1-7-2-8(4-9-3-7)5-10-6-11/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyWJJXCYNVEZXMBO-UHFFFAOYSA-N
XLogP0.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-propan-2-yl-3-pyridinyl)methyl]formamide
CID 142430728
N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271666
1,1-dimethyl-2-[(5-methyl-3-pyridinyl)methyl]hydrazine
CID 102881007
N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine
CID 102881066
2-chloro-N-[(5-methyl-3-pyridinyl)methyl]prop-2-en-1-amine
CID 102881049
1-methyl-N-[(5-methyl-3-pyridinyl)methyl]azetidin-3-amine
CID 130908640
2-ethoxy-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880746
ethyl 3-[(5-methyl-3-pyridinyl)methylamino]propanoate
CID 102877449
1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 138691564
N-[(5-methyl-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 102881076
N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103864336
(2R)-2-amino-N-[(5-methyl-3-pyridinyl)methyl]propanamide
CID 131176705

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]formamide?
The IUPAC name of N-[(5-methyl-3-pyridinyl)methyl]formamide (CID 142430826) is N-[(5-methyl-3-pyridinyl)methyl]formamide.
What is the SMILES notation for N-[(5-methyl-3-pyridinyl)methyl]formamide?
The canonical SMILES for N-[(5-methyl-3-pyridinyl)methyl]formamide is Cc1cncc(CNC=O)c1.
What is the InChIKey of N-[(5-methyl-3-pyridinyl)methyl]formamide?
The InChIKey is WJJXCYNVEZXMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-7-2-8(4-9-3-7)5-10-6-11/h2-4,6H,5H2,1H3,(H,10,11).
What are the key properties of N-[(5-methyl-3-pyridinyl)methyl]formamide?
N-[(5-methyl-3-pyridinyl)methyl]formamide has a molecular weight of 150.18 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-pyridinyl)methyl]formamide is sourced from PubChem (CID 142430826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).