4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile

C11H15N3O — CID 82715637

IUPAC4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile
SMILESCC(C)CONCc1ccnc(C#N)c1
InChIInChI=1S/C11H15N3O/c1-9(2)8-15-14-7-10-3-4-13-11(5-10)6-12/h3-5,9,14H,7-8H2,1-2H3
InChIKeyNMPNJAIDBNMPBT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.63
Rot. Bonds5

About 4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile

4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile (PubChem CID 82715637) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile
PubChem CID82715637
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile
SMILESCC(C)CONCc1ccnc(C#N)c1
InChIInChI=1S/C11H15N3O/c1-9(2)8-15-14-7-10-3-4-13-11(5-10)6-12/h3-5,9,14H,7-8H2,1-2H3
InChIKeyNMPNJAIDBNMPBT-UHFFFAOYSA-N
XLogP1.63
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(but-3-yn-2-ylamino)methyl]pyridine-2-carbonitrile
CID 114416679
4-[(3,3-dimethylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 115752803
4-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]pyridine-2-carbonitrile
CID 63883285
4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63882717
methyl 2-[(2-cyano-4-pyridinyl)methylamino]propanoate
CID 63880745
4-(2-methylpropylsulfonylmethyl)pyridine-2-carbonitrile
CID 64689751
4-[2-(propan-2-ylamino)ethoxymethyl]pyridine-2-carbonitrile
CID 63881182
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 103829289
4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63885383
4-[[2-[di(propan-2-yl)amino]ethylamino]methyl]pyridine-2-carbonitrile
CID 63889442
1-methyl-4-[(2-methylpropoxyamino)methyl]pyrrole-2-carbonitrile
CID 103203502
4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile
CID 63880788

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile (CID 82715637) is 4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile is CC(C)CONCc1ccnc(C#N)c1.
What is the InChIKey of 4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile?
The InChIKey is NMPNJAIDBNMPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(2)8-15-14-7-10-3-4-13-11(5-10)6-12/h3-5,9,14H,7-8H2,1-2H3.
What are the key properties of 4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile?
4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropoxyamino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 82715637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).