2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile

C16H21N3O — CID 107466821

IUPAC2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C16H21N3O/c1-11-8-13(10-19(11)14-6-7-14)18-16-12(9-17)4-3-5-15(16)20-2/h3-5,11,13-14,18H,6-8,10H2,1-2H3
InChIKeyWWRNMQHPKFOUMH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.60
Rot. Bonds4

About 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile

2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile (PubChem CID 107466821) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile
PubChem CID107466821
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C16H21N3O/c1-11-8-13(10-19(11)14-6-7-14)18-16-12(9-17)4-3-5-15(16)20-2/h3-5,11,13-14,18H,6-8,10H2,1-2H3
InChIKeyWWRNMQHPKFOUMH-UHFFFAOYSA-N
XLogP2.60
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxycyclohexyl)amino]-3-methoxybenzonitrile
CID 107466646
2-[(1,1-dioxothiolan-3-yl)amino]-3-methoxybenzonitrile
CID 107467134
3-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]benzonitrile
CID 115997321
2-[(3-ethylcyclohexyl)amino]-3-methoxybenzonitrile
CID 107466643
3-methoxy-2-[(1-prop-2-ynylpiperidin-4-yl)amino]benzonitrile
CID 107466782
3-methoxy-2-[(3-methylsulfonylcyclohexyl)amino]benzonitrile
CID 107467482
N-(5-bromo-2-methoxyphenyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115904126
3-methoxy-2-[(2,4,4-trimethylcyclopentyl)amino]benzonitrile
CID 107467038
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-3-methoxybenzonitrile
CID 107466723
benzyl N-[3-(2-cyano-6-methoxyanilino)cyclobutyl]carbamate
CID 107466968
2-(1-cyclopropylbutylamino)-3-methoxybenzonitrile
CID 114275975
3-methoxy-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]benzonitrile
CID 117052872

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile?
The IUPAC name of 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile (CID 107466821) is 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile.
What is the SMILES notation for 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile?
The canonical SMILES for 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile is COc1cccc(C#N)c1NC1CC(C)N(C2CC2)C1.
What is the InChIKey of 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile?
The InChIKey is WWRNMQHPKFOUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-8-13(10-19(11)14-6-7-14)18-16-12(9-17)4-3-5-15(16)20-2/h3-5,11,13-14,18H,6-8,10H2,1-2H3.
What are the key properties of 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile?
2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile has a molecular weight of 271.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-3-methoxybenzonitrile is sourced from PubChem (CID 107466821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).