6-(4-methylazepan-1-yl)pyridine-3-carbonitrile

C13H17N3 — CID 62045126

IUPAC6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
SMILESCC1CCCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C13H17N3/c1-11-3-2-7-16(8-6-11)13-5-4-12(9-14)10-15-13/h4-5,10-11H,2-3,6-8H2,1H3
InChIKeyKVLNSDRAHFKHSA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.58
Rot. Bonds1

About 6-(4-methylazepan-1-yl)pyridine-3-carbonitrile

6-(4-methylazepan-1-yl)pyridine-3-carbonitrile (PubChem CID 62045126) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-(4-methylazepan-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
PubChem CID62045126
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
SMILESCC1CCCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C13H17N3/c1-11-3-2-7-16(8-6-11)13-5-4-12(9-14)10-15-13/h4-5,10-11H,2-3,6-8H2,1H3
InChIKeyKVLNSDRAHFKHSA-UHFFFAOYSA-N
XLogP2.58
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 17449663
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538
1-(5-bromo-2-pyridinyl)-4-methylazepane
CID 55249997
6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile
CID 138049082
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
CID 69354590
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide
CID 47085267
6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133279943

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylazepan-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-methylazepan-1-yl)pyridine-3-carbonitrile (CID 62045126) is 6-(4-methylazepan-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methylazepan-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methylazepan-1-yl)pyridine-3-carbonitrile is CC1CCCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-(4-methylazepan-1-yl)pyridine-3-carbonitrile?
The InChIKey is KVLNSDRAHFKHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-3-2-7-16(8-6-11)13-5-4-12(9-14)10-15-13/h4-5,10-11H,2-3,6-8H2,1H3.
What are the key properties of 6-(4-methylazepan-1-yl)pyridine-3-carbonitrile?
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylazepan-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 62045126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).