1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile

C15H16N4 — CID 82571269

IUPAC1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile
SMILESN#Cc1cccc2ccnc(NC3CCNCC3)c12
InChIInChI=1S/C15H16N4/c16-10-12-3-1-2-11-4-9-18-15(14(11)12)19-13-5-7-17-8-6-13/h1-4,9,13,17H,5-8H2,(H,18,19)
InChIKeyBQNUDHVHOUGYJS-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.27
Rot. Bonds2

About 1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile

1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile (PubChem CID 82571269) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile.

Molecular Properties

Compound Name1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile
PubChem CID82571269
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile
SMILESN#Cc1cccc2ccnc(NC3CCNCC3)c12
InChIInChI=1S/C15H16N4/c16-10-12-3-1-2-11-4-9-18-15(14(11)12)19-13-5-7-17-8-6-13/h1-4,9,13,17H,5-8H2,(H,18,19)
InChIKeyBQNUDHVHOUGYJS-UHFFFAOYSA-N
XLogP2.27
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylamino)-2-(piperidin-4-ylamino)pyrimidine-5-carbonitrile
CID 164855035
6-(piperidin-4-ylamino)pyridine-2-carbonitrile
CID 64589581
2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256
3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile
CID 82813443
N-cyclopropyl-1-piperazin-1-ylisoquinolin-8-amine
CID 82572817
7-methyl-N-piperidin-4-ylisoquinolin-1-amine
CID 82570879
3-amino-2-(cyclopentylamino)pyridine-4-carbonitrile
CID 82817355
2-[(1-oxothian-4-yl)amino]pyridine-3-carbonitrile
CID 115886619
2-(azepan-4-ylamino)-4-methylbenzonitrile
CID 107173825
3-chloro-2-(cyclohexylamino)pyridine-4-carbonitrile
CID 107056628
3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
CID 82817121
5-fluoro-1-N-piperidin-4-ylisoquinoline-1,8-diamine
CID 82570043

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile?
The IUPAC name of 1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile (CID 82571269) is 1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile.
What is the SMILES notation for 1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile?
The canonical SMILES for 1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile is N#Cc1cccc2ccnc(NC3CCNCC3)c12.
What is the InChIKey of 1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile?
The InChIKey is BQNUDHVHOUGYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-10-12-3-1-2-11-4-9-18-15(14(11)12)19-13-5-7-17-8-6-13/h1-4,9,13,17H,5-8H2,(H,18,19).
What are the key properties of 1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile?
1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylamino)isoquinoline-8-carbonitrile is sourced from PubChem (CID 82571269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).