4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile

C14H15N5 — CID 80563975

IUPAC4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCC1CCNC1
InChIInChI=1S/C14H15N5/c15-7-13-14(17-9-10-5-6-16-8-10)11-3-1-2-4-12(11)18-19-13/h1-4,10,16H,5-6,8-9H2,(H,17,18)
InChIKeyXHOKVTYRJGBRSF-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.52
Rot. Bonds3

About 4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile

4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile (PubChem CID 80563975) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile
PubChem CID80563975
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCC1CCNC1
InChIInChI=1S/C14H15N5/c15-7-13-14(17-9-10-5-6-16-8-10)11-3-1-2-4-12(11)18-19-13/h1-4,10,16H,5-6,8-9H2,(H,17,18)
InChIKeyXHOKVTYRJGBRSF-UHFFFAOYSA-N
XLogP1.52
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-hydroxycyclopentyl)methylamino]cinnoline-3-carbonitrile
CID 103269781
4-(oxan-3-ylmethylamino)cinnoline-3-carbonitrile
CID 64898322
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile
CID 79359952
4-(1,4-dithian-2-ylmethylamino)cinnoline-3-carbonitrile
CID 115685301
4-[(2-amino-2-cyclopropylethyl)amino]cinnoline-3-carbonitrile
CID 115301445
4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile
CID 114695438
2-(pyrrolidin-3-ylmethylamino)benzonitrile
CID 80563808
4-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethylamino)cinnoline-3-carbonitrile
CID 91643501
4-(2,2,3-trimethylbutylamino)cinnoline-3-carbonitrile
CID 102609039
4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile
CID 64900054
4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile
CID 83018198
4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile
CID 114547691

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile?
The IUPAC name of 4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile (CID 80563975) is 4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile.
What is the SMILES notation for 4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile?
The canonical SMILES for 4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile is N#Cc1nnc2ccccc2c1NCC1CCNC1.
What is the InChIKey of 4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile?
The InChIKey is XHOKVTYRJGBRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-7-13-14(17-9-10-5-6-16-8-10)11-3-1-2-4-12(11)18-19-13/h1-4,10,16H,5-6,8-9H2,(H,17,18).
What are the key properties of 4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile?
4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile is sourced from PubChem (CID 80563975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).