1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide

C16H20N4O — CID 106770794

IUPAC1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide
SMILESCN1CCC(CNC(=O)c2cnc(N)c3ccccc23)C1
InChIInChI=1S/C16H20N4O/c1-20-7-6-11(10-20)8-19-16(21)14-9-18-15(17)13-5-3-2-4-12(13)14/h2-5,9,11H,6-8,10H2,1H3,(H2,17,18)(H,19,21)
InChIKeySHRWSDGXCRUFMI-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.50
Rot. Bonds3

About 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide

1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide (PubChem CID 106770794) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide
PubChem CID106770794
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide
SMILESCN1CCC(CNC(=O)c2cnc(N)c3ccccc23)C1
InChIInChI=1S/C16H20N4O/c1-20-7-6-11(10-20)8-19-16(21)14-9-18-15(17)13-5-3-2-4-12(13)14/h2-5,9,11H,6-8,10H2,1H3,(H2,17,18)(H,19,21)
InChIKeySHRWSDGXCRUFMI-UHFFFAOYSA-N
XLogP1.50
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide
CID 106770157
1-amino-N-(thiolan-3-ylmethyl)isoquinoline-4-carboxamide
CID 107298194
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide
CID 62160626
2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110476079
6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62160287
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62181266
1-amino-N-cyclopentylisoquinoline-4-carboxamide
CID 106770096
5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62238368
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 134434405
3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 62660266
5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide
CID 63116899
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide (CID 106770794) is 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide is CN1CCC(CNC(=O)c2cnc(N)c3ccccc23)C1.
What is the InChIKey of 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide?
The InChIKey is SHRWSDGXCRUFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-7-6-11(10-20)8-19-16(21)14-9-18-15(17)13-5-3-2-4-12(13)14/h2-5,9,11H,6-8,10H2,1H3,(H2,17,18)(H,19,21).
What are the key properties of 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide?
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide is sourced from PubChem (CID 106770794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).