2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C15H15N5 — CID 60968727

IUPAC2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1nccc(CNc2nc3c(cc2C#N)CCC3)n1
InChIInChI=1S/C15H15N5/c1-10-17-6-5-13(19-10)9-18-15-12(8-16)7-11-3-2-4-14(11)20-15/h5-7H,2-4,9H2,1H3,(H,18,20)
InChIKeyNUISNZFTWIPIOT-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.15
Rot. Bonds3

About 2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 60968727) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID60968727
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1nccc(CNc2nc3c(cc2C#N)CCC3)n1
InChIInChI=1S/C15H15N5/c1-10-17-6-5-13(19-10)9-18-15-12(8-16)7-11-3-2-4-14(11)20-15/h5-7H,2-4,9H2,1H3,(H,18,20)
InChIKeyNUISNZFTWIPIOT-UHFFFAOYSA-N
XLogP2.15
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 55207722
2-[(4-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981107
2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 82737349
2-[(2,4-difluorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62050418
2-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 55207503
2-[(3-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980322
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
2-[(4,5-dimethylthiophen-2-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 65243957
2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102906136
2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103742965
5-methyl-2-[(2-methylpyrimidin-4-yl)methylamino]benzonitrile
CID 107927329

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 60968727) is 2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is Cc1nccc(CNc2nc3c(cc2C#N)CCC3)n1.
What is the InChIKey of 2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is NUISNZFTWIPIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-17-6-5-13(19-10)9-18-15-12(8-16)7-11-3-2-4-14(11)20-15/h5-7H,2-4,9H2,1H3,(H,18,20).
What are the key properties of 2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrimidin-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 60968727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).