3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile

C14H21N5 — CID 106641480

IUPAC3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile
SMILESCC(C)N(CC1CCCCN1)c1nccnc1C#N
InChIInChI=1S/C14H21N5/c1-11(2)19(10-12-5-3-4-6-16-12)14-13(9-15)17-7-8-18-14/h7-8,11-12,16H,3-6,10H2,1-2H3
InChIKeyBFXKKINYZAMEHF-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.71
Rot. Bonds4

About 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile

3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile (PubChem CID 106641480) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile
PubChem CID106641480
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile
SMILESCC(C)N(CC1CCCCN1)c1nccnc1C#N
InChIInChI=1S/C14H21N5/c1-11(2)19(10-12-5-3-4-6-16-12)14-13(9-15)17-7-8-18-14/h7-8,11-12,16H,3-6,10H2,1-2H3
InChIKeyBFXKKINYZAMEHF-UHFFFAOYSA-N
XLogP1.71
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridazine-4-carbonitrile
CID 106641449
2-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107552788
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carboxamide
CID 106641481
3-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrazin-2-one
CID 106641472
4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106618773
2-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106641336
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 83838459
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106618925
N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine
CID 106641355
5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106641533
1,3-dimethyl-5-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazole-4-carbonitrile
CID 106641435
3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106618513

Frequently Asked Questions

What is the IUPAC name of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile (CID 106641480) is 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile is CC(C)N(CC1CCCCN1)c1nccnc1C#N.
What is the InChIKey of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is BFXKKINYZAMEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11(2)19(10-12-5-3-4-6-16-12)14-13(9-15)17-7-8-18-14/h7-8,11-12,16H,3-6,10H2,1-2H3.
What are the key properties of 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile?
3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 106641480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).