2-amino-6-butylpyridine-3-carbonitrile

C10H13N3 — CID 82411114

IUPAC2-amino-6-butylpyridine-3-carbonitrile
SMILESCCCCc1ccc(C#N)c(N)n1
InChIInChI=1S/C10H13N3/c1-2-3-4-9-6-5-8(7-11)10(12)13-9/h5-6H,2-4H2,1H3,(H2,12,13)
InChIKeyDRMWMGCIFYSWSM-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.88
Rot. Bonds3

About 2-amino-6-butylpyridine-3-carbonitrile

2-amino-6-butylpyridine-3-carbonitrile (PubChem CID 82411114) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-amino-6-butylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-butylpyridine-3-carbonitrile
PubChem CID82411114
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-amino-6-butylpyridine-3-carbonitrile
SMILESCCCCc1ccc(C#N)c(N)n1
InChIInChI=1S/C10H13N3/c1-2-3-4-9-6-5-8(7-11)10(12)13-9/h5-6H,2-4H2,1H3,(H2,12,13)
InChIKeyDRMWMGCIFYSWSM-UHFFFAOYSA-N
XLogP1.88
TPSA62.70 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-butyl-2-(3,3-dimethylbut-1-ynyl)pyridine-3-carbonitrile
CID 67994866
6-butylpyrazin-2-amine
CID 89087055
6-butyl-2-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carbonitrile
CID 18893827
2-amino-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 62198217
6-butyl-2-iodopyridine-3,4-dicarbonitrile
CID 15370759
5-butyl-2-methyl-1H-imidazo[4,5-b]pyridine
CID 58118801
(6-butyl-2-pyridinyl)methanamine
CID 67813294
N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide
CID 23998194
2-amino-5-butylthiophene-3-carbonitrile
CID 43367138
6-(aminomethyl)-2-methylpyridine-3-carbonitrile
CID 82502522
2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile
CID 5037576
4-amino-6-butyl-2-methylsulfanylpyrimidine-5-carbonitrile
CID 100775975

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-butylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-butylpyridine-3-carbonitrile (CID 82411114) is 2-amino-6-butylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-butylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-butylpyridine-3-carbonitrile is CCCCc1ccc(C#N)c(N)n1.
What is the InChIKey of 2-amino-6-butylpyridine-3-carbonitrile?
The InChIKey is DRMWMGCIFYSWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-3-4-9-6-5-8(7-11)10(12)13-9/h5-6H,2-4H2,1H3,(H2,12,13).
What are the key properties of 2-amino-6-butylpyridine-3-carbonitrile?
2-amino-6-butylpyridine-3-carbonitrile has a molecular weight of 175.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-butylpyridine-3-carbonitrile is sourced from PubChem (CID 82411114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).