(4-methyl-3-pyridinyl)methylcyanamide

C8H9N3 — CID 114955581

IUPAC(4-methyl-3-pyridinyl)methylcyanamide
SMILESCc1ccncc1CNC#N
InChIInChI=1S/C8H9N3/c1-7-2-3-10-4-8(7)5-11-6-9/h2-4,11H,5H2,1H3
InChIKeyKYLQDTWBPIYAEJ-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.96
Rot. Bonds2

About (4-methyl-3-pyridinyl)methylcyanamide

(4-methyl-3-pyridinyl)methylcyanamide (PubChem CID 114955581) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)methylcyanamide.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)methylcyanamide
PubChem CID114955581
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name(4-methyl-3-pyridinyl)methylcyanamide
SMILESCc1ccncc1CNC#N
InChIInChI=1S/C8H9N3/c1-7-2-3-10-4-8(7)5-11-6-9/h2-4,11H,5H2,1H3
InChIKeyKYLQDTWBPIYAEJ-UHFFFAOYSA-N
XLogP0.96
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
2-[(4-methyl-3-pyridinyl)methylamino]propanenitrile
CID 114955540
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]pentan-3-amine
CID 103829141
5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956718
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711
4-methoxy-3-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzonitrile
CID 114955600
2-bromo-6-[(4-methyl-3-pyridinyl)methylamino]benzonitrile
CID 114956144
3-[(4-methyl-3-pyridinyl)methylamino]cyclopent-2-en-1-one
CID 114956606
5-chloro-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956528
1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954748
6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114956180

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)methylcyanamide?
The IUPAC name of (4-methyl-3-pyridinyl)methylcyanamide (CID 114955581) is (4-methyl-3-pyridinyl)methylcyanamide.
What is the SMILES notation for (4-methyl-3-pyridinyl)methylcyanamide?
The canonical SMILES for (4-methyl-3-pyridinyl)methylcyanamide is Cc1ccncc1CNC#N.
What is the InChIKey of (4-methyl-3-pyridinyl)methylcyanamide?
The InChIKey is KYLQDTWBPIYAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-7-2-3-10-4-8(7)5-11-6-9/h2-4,11H,5H2,1H3.
What are the key properties of (4-methyl-3-pyridinyl)methylcyanamide?
(4-methyl-3-pyridinyl)methylcyanamide has a molecular weight of 147.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)methylcyanamide is sourced from PubChem (CID 114955581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).