6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile

C19H27N5O — CID 152939473

IUPAC6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile
SMILESC[C@@H]1CCCN1C(=O)CNC1CCC(CNc2ccc(C#N)cn2)C1
InChIInChI=1S/C19H27N5O/c1-14-3-2-8-24(14)19(25)13-21-17-6-4-15(9-17)11-22-18-7-5-16(10-20)12-23-18/h5,7,12,14-15,17,21H,2-4,6,8-9,11,13H2,1H3,(H,22,23)/t14-,15?,17?/m1/s1
InChIKeyUMNDWHZLEXDEJV-HPUBIQBYSA-N
MW341.46 g/mol
LogP2.13
Rot. Bonds6

About 6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile

6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile (PubChem CID 152939473) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile
PubChem CID152939473
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile
SMILESC[C@@H]1CCCN1C(=O)CNC1CCC(CNc2ccc(C#N)cn2)C1
InChIInChI=1S/C19H27N5O/c1-14-3-2-8-24(14)19(25)13-21-17-6-4-15(9-17)11-22-18-7-5-16(10-20)12-23-18/h5,7,12,14-15,17,21H,2-4,6,8-9,11,13H2,1H3,(H,22,23)/t14-,15?,17?/m1/s1
InChIKeyUMNDWHZLEXDEJV-HPUBIQBYSA-N
XLogP2.13
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile (CID 152939473) is 6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile is C[C@@H]1CCCN1C(=O)CNC1CCC(CNc2ccc(C#N)cn2)C1.
What is the InChIKey of 6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is UMNDWHZLEXDEJV-HPUBIQBYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-3-2-8-24(14)19(25)13-21-17-6-4-15(9-17)11-22-18-7-5-16(10-20)12-23-18/h5,7,12,14-15,17,21H,2-4,6,8-9,11,13H2,1H3,(H,22,23)/t14-,15?,17?/m1/s1.
What are the key properties of 6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile?
6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 341.46 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]cyclopentyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 152939473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).