1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide

C16H21N3O — CID 62156479

IUPAC1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide
SMILESCCCN(C(=O)c1cc2ccccc2c(N)n1)C(C)C
InChIInChI=1S/C16H21N3O/c1-4-9-19(11(2)3)16(20)14-10-12-7-5-6-8-13(12)15(17)18-14/h5-8,10-11H,4,9H2,1-3H3,(H2,17,18)
InChIKeyXHSMWCDTSFSACM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.08
Rot. Bonds4

About 1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide

1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide (PubChem CID 62156479) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide
PubChem CID62156479
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide
SMILESCCCN(C(=O)c1cc2ccccc2c(N)n1)C(C)C
InChIInChI=1S/C16H21N3O/c1-4-9-19(11(2)3)16(20)14-10-12-7-5-6-8-13(12)15(17)18-14/h5-8,10-11H,4,9H2,1-3H3,(H2,17,18)
InChIKeyXHSMWCDTSFSACM-UHFFFAOYSA-N
XLogP3.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide
CID 62156475
1-amino-N-butyl-N-(2-hydroxyethyl)isoquinoline-3-carboxamide
CID 62160551
1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide
CID 106770496
1-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)isoquinoline-3-carboxamide
CID 79380171
N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide
CID 62168608
1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide
CID 62185684
1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide
CID 62156009
4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide
CID 82941455
1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide
CID 62151478
N-ethyl-N-propan-2-ylisoquinoline-3-carboxamide
CID 67428149
4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide
CID 43643434
1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide
CID 55043674

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide?
The IUPAC name of 1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide (CID 62156479) is 1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide.
What is the SMILES notation for 1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide?
The canonical SMILES for 1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide is CCCN(C(=O)c1cc2ccccc2c(N)n1)C(C)C.
What is the InChIKey of 1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide?
The InChIKey is XHSMWCDTSFSACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-9-19(11(2)3)16(20)14-10-12-7-5-6-8-13(12)15(17)18-14/h5-8,10-11H,4,9H2,1-3H3,(H2,17,18).
What are the key properties of 1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide?
1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide is sourced from PubChem (CID 62156479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).