6-(hexan-3-ylamino)pyridine-3-carbonitrile

C12H17N3 — CID 62046801

IUPAC6-(hexan-3-ylamino)pyridine-3-carbonitrile
SMILESCCCC(CC)Nc1ccc(C#N)cn1
InChIInChI=1S/C12H17N3/c1-3-5-11(4-2)15-12-7-6-10(8-13)9-14-12/h6-7,9,11H,3-5H2,1-2H3,(H,14,15)
InChIKeyBNHKVWJCWJZWRI-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.94
Rot. Bonds5

About 6-(hexan-3-ylamino)pyridine-3-carbonitrile

6-(hexan-3-ylamino)pyridine-3-carbonitrile (PubChem CID 62046801) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-(hexan-3-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(hexan-3-ylamino)pyridine-3-carbonitrile
PubChem CID62046801
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name6-(hexan-3-ylamino)pyridine-3-carbonitrile
SMILESCCCC(CC)Nc1ccc(C#N)cn1
InChIInChI=1S/C12H17N3/c1-3-5-11(4-2)15-12-7-6-10(8-13)9-14-12/h6-7,9,11H,3-5H2,1-2H3,(H,14,15)
InChIKeyBNHKVWJCWJZWRI-UHFFFAOYSA-N
XLogP2.94
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile
CID 51681205
5-chloro-N-hexan-3-ylpyridin-2-amine
CID 62117278
6-[1-(benzenesulfonyl)butan-2-ylamino]pyridine-3-carbonitrile
CID 122150706
6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308
N-hexan-3-ylpyrimidin-4-amine
CID 62117651
6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile
CID 115659032
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile
CID 115643963
6-[5-(diethylamino)pentan-2-ylamino]pyridine-3-carbonitrile
CID 24692421
N-(5-cyano-2-pyridinyl)-2-ethylhexanamide
CID 55063088
6-[(3-ethyl-2-hydroxypentyl)amino]pyridine-3-carbonitrile
CID 113234230
(2S)-2-[(5-cyano-2-pyridinyl)amino]-3-methylbutanamide
CID 97236005

Frequently Asked Questions

What is the IUPAC name of 6-(hexan-3-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(hexan-3-ylamino)pyridine-3-carbonitrile (CID 62046801) is 6-(hexan-3-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(hexan-3-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(hexan-3-ylamino)pyridine-3-carbonitrile is CCCC(CC)Nc1ccc(C#N)cn1.
What is the InChIKey of 6-(hexan-3-ylamino)pyridine-3-carbonitrile?
The InChIKey is BNHKVWJCWJZWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-5-11(4-2)15-12-7-6-10(8-13)9-14-12/h6-7,9,11H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 6-(hexan-3-ylamino)pyridine-3-carbonitrile?
6-(hexan-3-ylamino)pyridine-3-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hexan-3-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 62046801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).