4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile

C10H13N3O — CID 130810747

IUPAC4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile
SMILESCOCC(C)Nc1ccncc1C#N
InChIInChI=1S/C10H13N3O/c1-8(7-14-2)13-10-3-4-12-6-9(10)5-11/h3-4,6,8H,7H2,1-2H3,(H,12,13)
InChIKeyZEZFVZHVVIVYKD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.40
Rot. Bonds4

About 4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile

4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 130810747) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile
PubChem CID130810747
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile
SMILESCOCC(C)Nc1ccncc1C#N
InChIInChI=1S/C10H13N3O/c1-8(7-14-2)13-10-3-4-12-6-9(10)5-11/h3-4,6,8H,7H2,1-2H3,(H,12,13)
InChIKeyZEZFVZHVVIVYKD-UHFFFAOYSA-N
XLogP1.40
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile (CID 130810747) is 4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile is COCC(C)Nc1ccncc1C#N.
What is the InChIKey of 4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is ZEZFVZHVVIVYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8(7-14-2)13-10-3-4-12-6-9(10)5-11/h3-4,6,8H,7H2,1-2H3,(H,12,13).
What are the key properties of 4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile?
4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 130810747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).