5-(butan-2-ylamino)pyridine-2-carbonitrile

C10H13N3 — CID 79839653

IUPAC5-(butan-2-ylamino)pyridine-2-carbonitrile
SMILESCCC(C)Nc1ccc(C#N)nc1
InChIInChI=1S/C10H13N3/c1-3-8(2)13-10-5-4-9(6-11)12-7-10/h4-5,7-8,13H,3H2,1-2H3
InChIKeyIEOQNVMIKNAPTN-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.16
Rot. Bonds3

About 5-(butan-2-ylamino)pyridine-2-carbonitrile

5-(butan-2-ylamino)pyridine-2-carbonitrile (PubChem CID 79839653) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-(butan-2-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(butan-2-ylamino)pyridine-2-carbonitrile
PubChem CID79839653
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name5-(butan-2-ylamino)pyridine-2-carbonitrile
SMILESCCC(C)Nc1ccc(C#N)nc1
InChIInChI=1S/C10H13N3/c1-3-8(2)13-10-5-4-9(6-11)12-7-10/h4-5,7-8,13H,3H2,1-2H3
InChIKeyIEOQNVMIKNAPTN-UHFFFAOYSA-N
XLogP2.16
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile
CID 79839031
5-(heptan-2-ylamino)pyridine-2-carbonitrile
CID 115487559
3-[(6-cyano-3-pyridinyl)amino]butanamide
CID 115685029
5-(1-methoxybutan-2-ylamino)pyridine-2-carbonitrile
CID 115487722
4-[(6-cyano-3-pyridinyl)amino]pentanoic acid
CID 115487300
5-(hept-6-en-2-ylamino)pyridine-2-carbonitrile
CID 133436130
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-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile
CID 113320580
5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 79839884
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(butan-2-ylamino)pyridine-2-carbonitrile (CID 79839653) is 5-(butan-2-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(butan-2-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(butan-2-ylamino)pyridine-2-carbonitrile is CCC(C)Nc1ccc(C#N)nc1.
What is the InChIKey of 5-(butan-2-ylamino)pyridine-2-carbonitrile?
The InChIKey is IEOQNVMIKNAPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-8(2)13-10-5-4-9(6-11)12-7-10/h4-5,7-8,13H,3H2,1-2H3.
What are the key properties of 5-(butan-2-ylamino)pyridine-2-carbonitrile?
5-(butan-2-ylamino)pyridine-2-carbonitrile has a molecular weight of 175.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 79839653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).