3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile

C20H22N4O — CID 154768069

IUPAC3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(NCc1ccncc1O[C@H]1CCNC1)CC2
InChIInChI=1S/C20H22N4O/c21-10-14-1-2-15-3-4-19(18(15)9-14)24-11-16-5-7-23-13-20(16)25-17-6-8-22-12-17/h1-2,5,7,9,13,17,19,22,24H,3-4,6,8,11-12H2/t17-,19?/m0/s1
InChIKeyURVYPLOGMRSMJX-KKFHFHRHSA-N
MW334.42 g/mol
LogP2.47
Rot. Bonds5

About 3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile

3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 154768069) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID154768069
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C(NCc1ccncc1O[C@H]1CCNC1)CC2
InChIInChI=1S/C20H22N4O/c21-10-14-1-2-15-3-4-19(18(15)9-14)24-11-16-5-7-23-13-20(16)25-17-6-8-22-12-17/h1-2,5,7,9,13,17,19,22,24H,3-4,6,8,11-12H2/t17-,19?/m0/s1
InChIKeyURVYPLOGMRSMJX-KKFHFHRHSA-N
XLogP2.47
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile with MolForge

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Related Compounds

N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine
CID 154771306
N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine
CID 167974128
3-chloro-4-pyrrolidin-3-yloxypyridine
CID 79840362
3-nitro-4-pyrrolidin-3-yloxybenzonitrile
CID 62327417
3-fluoro-4-(pyrrolidin-3-yloxymethyl)benzonitrile
CID 62327906
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile
CID 43181888
4-pyrrolidin-3-ylpyridine-3-carbonitrile
CID 115014147
(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 131140735
N-[[3-[(3S)-1-(5-cyano-2-pyridinyl)pyrrolidin-3-yl]oxy-4-pyridinyl]methyl]propanamide
CID 154767169
3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 70102226
5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]thiophene-3-carbonitrile
CID 79544753
5-[2-[(2-chloro-4-pyridinyl)amino]pyrimidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]oxybenzonitrile
CID 89052706

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile (CID 154768069) is 3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile is N#Cc1ccc2c(c1)C(NCc1ccncc1O[C@H]1CCNC1)CC2.
What is the InChIKey of 3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is URVYPLOGMRSMJX-KKFHFHRHSA-N. The full InChI is InChI=1S/C20H22N4O/c21-10-14-1-2-15-3-4-19(18(15)9-14)24-11-16-5-7-23-13-20(16)25-17-6-8-22-12-17/h1-2,5,7,9,13,17,19,22,24H,3-4,6,8,11-12H2/t17-,19?/m0/s1.
What are the key properties of 3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile?
3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 334.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methylamino]-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 154768069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).