4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine

C19H22N4 — CID 157123664

IUPAC4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CNc2cc(C3=NCc4ccccc43)ccn2)C1
InChIInChI=1S/C19H22N4/c1-23-9-7-14(13-23)11-21-18-10-15(6-8-20-18)19-17-5-3-2-4-16(17)12-22-19/h2-6,8,10,14H,7,9,11-13H2,1H3,(H,20,21)
InChIKeyAIGOGQOIKLSZFH-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.80
Rot. Bonds4

About 4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine

4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine (PubChem CID 157123664) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
PubChem CID157123664
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CNc2cc(C3=NCc4ccccc43)ccn2)C1
InChIInChI=1S/C19H22N4/c1-23-9-7-14(13-23)11-21-18-10-15(6-8-20-18)19-17-5-3-2-4-16(17)12-22-19/h2-6,8,10,14H,7,9,11-13H2,1H3,(H,20,21)
InChIKeyAIGOGQOIKLSZFH-UHFFFAOYSA-N
XLogP2.80
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine
CID 147824254
3-(2-fluoro-4-pyridinyl)-1H-isoindole
CID 157451126
[(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 146761795
2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 64829485
5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine
CID 83265906
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62146336
5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 60856626
6-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 62406758
4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine
CID 157491720
N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 60857116
6-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2,6-diamine
CID 80791828
6-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4,6-triamine
CID 80791244

Frequently Asked Questions

What is the IUPAC name of 4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine (CID 157123664) is 4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine is CN1CCC(CNc2cc(C3=NCc4ccccc43)ccn2)C1.
What is the InChIKey of 4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
The InChIKey is AIGOGQOIKLSZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-23-9-7-14(13-23)11-21-18-10-15(6-8-20-18)19-17-5-3-2-4-16(17)12-22-19/h2-6,8,10,14H,7,9,11-13H2,1H3,(H,20,21).
What are the key properties of 4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine?
4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine has a molecular weight of 306.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 157123664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).