5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile

C11H15N3O — CID 115487722

IUPAC5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile
SMILESCCC(COC)Nc1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O/c1-3-9(8-15-2)14-11-5-4-10(6-12)13-7-11/h4-5,7,9,14H,3,8H2,1-2H3
InChIKeyQGGBDXXKNBCNDN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.79
Rot. Bonds5

About 5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile

5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile (PubChem CID 115487722) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile
PubChem CID115487722
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile
SMILESCCC(COC)Nc1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O/c1-3-9(8-15-2)14-11-5-4-10(6-12)13-7-11/h4-5,7,9,14H,3,8H2,1-2H3
InChIKeyQGGBDXXKNBCNDN-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile
CID 86781901
4-(1-methoxybutan-2-ylamino)benzene-1,2-dicarbonitrile
CID 107788180
5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile
CID 79839031
5-(3-ethoxypropylamino)pyridine-2-carbonitrile
CID 79840049
5-(heptan-2-ylamino)pyridine-2-carbonitrile
CID 115487559
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile
CID 79839810
5-[(1-methoxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103989784
5-hydrazinyl-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 104642834
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile (CID 115487722) is 5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile is CCC(COC)Nc1ccc(C#N)nc1.
What is the InChIKey of 5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile?
The InChIKey is QGGBDXXKNBCNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-9(8-15-2)14-11-5-4-10(6-12)13-7-11/h4-5,7,9,14H,3,8H2,1-2H3.
What are the key properties of 5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile?
5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 115487722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).