6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile

C12H18N4 — CID 62663569

IUPAC6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCNC(C)C)n1
InChIInChI=1S/C12H18N4/c1-9(2)14-6-7-15-12-11(8-13)5-4-10(3)16-12/h4-5,9,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyCACSCTFBFRXRKB-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.67
Rot. Bonds5

About 6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile

6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile (PubChem CID 62663569) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile
PubChem CID62663569
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCNC(C)C)n1
InChIInChI=1S/C12H18N4/c1-9(2)14-6-7-15-12-11(8-13)5-4-10(3)16-12/h4-5,9,14H,6-7H2,1-3H3,(H,15,16)
InChIKeyCACSCTFBFRXRKB-UHFFFAOYSA-N
XLogP1.67
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile (CID 62663569) is 6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile is Cc1ccc(C#N)c(NCCNC(C)C)n1.
What is the InChIKey of 6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile?
The InChIKey is CACSCTFBFRXRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-9(2)14-6-7-15-12-11(8-13)5-4-10(3)16-12/h4-5,9,14H,6-7H2,1-3H3,(H,15,16).
What are the key properties of 6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile?
6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 62663569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).