4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile

C10H13N3 — CID 62925478

IUPAC4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)N(C)c1ccnc(C#N)c1
InChIInChI=1S/C10H13N3/c1-8(2)13(3)10-4-5-12-9(6-10)7-11/h4-6,8H,1-3H3
InChIKeyVKVLUEMMQGMWGR-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.80
Rot. Bonds2

About 4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile

4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 62925478) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
PubChem CID62925478
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)N(C)c1ccnc(C#N)c1
InChIInChI=1S/C10H13N3/c1-8(2)13(3)10-4-5-12-9(6-10)7-11/h4-6,8H,1-3H3
InChIKeyVKVLUEMMQGMWGR-UHFFFAOYSA-N
XLogP1.80
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile (CID 62925478) is 4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile is CC(C)N(C)c1ccnc(C#N)c1.
What is the InChIKey of 4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is VKVLUEMMQGMWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8(2)13(3)10-4-5-12-9(6-10)7-11/h4-6,8H,1-3H3.
What are the key properties of 4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile?
4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 175.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 62925478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).