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

C16H20N4O — CID 62160626

IUPAC1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide
SMILESCN1CCC(CNC(=O)c2cc3ccccc3c(N)n2)C1
InChIInChI=1S/C16H20N4O/c1-20-7-6-11(10-20)9-18-16(21)14-8-12-4-2-3-5-13(12)15(17)19-14/h2-5,8,11H,6-7,9-10H2,1H3,(H2,17,19)(H,18,21)
InChIKeyHULYMIOBNKZMAP-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.50
Rot. Bonds3

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

1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide (PubChem CID 62160626) 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-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide
PubChem CID62160626
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide
SMILESCN1CCC(CNC(=O)c2cc3ccccc3c(N)n2)C1
InChIInChI=1S/C16H20N4O/c1-20-7-6-11(10-20)9-18-16(21)14-8-12-4-2-3-5-13(12)15(17)19-14/h2-5,8,11H,6-7,9-10H2,1H3,(H2,17,19)(H,18,21)
InChIKeyHULYMIOBNKZMAP-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-(cyclobutylmethyl)isoquinoline-3-carboxamide
CID 55041878
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide
CID 106770794
N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide
CID 62173096
5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 81316570
2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110476079
6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62160287
1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide
CID 62160545
N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746157
5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide
CID 63116899
1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62155506
4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925
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-3-carboxamide?
The IUPAC name of 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide (CID 62160626) is 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide.
What is the SMILES notation for 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide?
The canonical SMILES for 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide is CN1CCC(CNC(=O)c2cc3ccccc3c(N)n2)C1.
What is the InChIKey of 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide?
The InChIKey is HULYMIOBNKZMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-7-6-11(10-20)9-18-16(21)14-8-12-4-2-3-5-13(12)15(17)19-14/h2-5,8,11H,6-7,9-10H2,1H3,(H2,17,19)(H,18,21).
What are the key properties of 1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide?
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-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-3-carboxamide is sourced from PubChem (CID 62160626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).