4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile

C10H13N3S — CID 82507454

IUPAC4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCC(C)c1cc(CN)c(C#N)c(=S)[nH]1
InChIInChI=1S/C10H13N3S/c1-6(2)9-3-7(4-11)8(5-12)10(14)13-9/h3,6H,4,11H2,1-2H3,(H,13,14)
InChIKeyQXOJQPMWMLELAY-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.20
Rot. Bonds2

About 4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile

4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 82507454) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID82507454
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCC(C)c1cc(CN)c(C#N)c(=S)[nH]1
InChIInChI=1S/C10H13N3S/c1-6(2)9-3-7(4-11)8(5-12)10(14)13-9/h3,6H,4,11H2,1-2H3,(H,13,14)
InChIKeyQXOJQPMWMLELAY-UHFFFAOYSA-N
XLogP2.20
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-4-pentan-3-yl-6-propan-2-yl-1H-pyridine-3-carbonitrile
CID 164663154
3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile
CID 70206262
2-(aminomethyl)-6-chloro-4-methylbenzonitrile
CID 171015696
2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile
CID 15883174
4,6-diamino-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 139087413
4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 676510
2-oxo-6-propan-2-yl-1H-pyrimidine-4-carbonitrile
CID 39235857
4-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-3-carbonitrile
CID 118851689
2,6-diethyl-4-propan-2-ylbenzonitrile
CID 134444218
ethyl 5-cyano-4-methyl-6-sulfanylidene-1H-pyridine-2-carboxylate
CID 825243
5-propan-2-yl-1H-pyrrole-2-carbonitrile
CID 141018308
2-amino-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile
CID 56750954

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile (CID 82507454) is 4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile is CC(C)c1cc(CN)c(C#N)c(=S)[nH]1.
What is the InChIKey of 4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is QXOJQPMWMLELAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-6(2)9-3-7(4-11)8(5-12)10(14)13-9/h3,6H,4,11H2,1-2H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile has a molecular weight of 207.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-propan-2-yl-2-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82507454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).