1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide

C16H21N3O — CID 106770496

IUPAC1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide
SMILESCCCN(C(=O)c1cnc(N)c2ccccc12)C(C)C
InChIInChI=1S/C16H21N3O/c1-4-9-19(11(2)3)16(20)14-10-18-15(17)13-8-6-5-7-12(13)14/h5-8,10-11H,4,9H2,1-3H3,(H2,17,18)
InChIKeyRSJFKEGIMZDLEQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.08
Rot. Bonds4

About 1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide

1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide (PubChem CID 106770496) 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-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide
PubChem CID106770496
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide
SMILESCCCN(C(=O)c1cnc(N)c2ccccc12)C(C)C
InChIInChI=1S/C16H21N3O/c1-4-9-19(11(2)3)16(20)14-10-18-15(17)13-8-6-5-7-12(13)14/h5-8,10-11H,4,9H2,1-3H3,(H2,17,18)
InChIKeyRSJFKEGIMZDLEQ-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-(3-hydroxypropyl)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106771545
1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide
CID 106771901
N-ethyl-1-hydrazinyl-N-propan-2-ylisoquinoline-4-carboxamide
CID 106773895
1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide
CID 62156479
1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide
CID 106772800
N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106770477
4-chloro-6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 81225563
1-amino-N-(2-methylpentan-3-yl)isoquinoline-4-carboxamide
CID 106771061
1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106772798
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027
1-amino-N-(2-methylsulfanylpropyl)isoquinoline-4-carboxamide
CID 106772784
4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 81225564

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide (CID 106770496) is 1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide is CCCN(C(=O)c1cnc(N)c2ccccc12)C(C)C.
What is the InChIKey of 1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide?
The InChIKey is RSJFKEGIMZDLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-9-19(11(2)3)16(20)14-10-18-15(17)13-8-6-5-7-12(13)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-4-carboxamide?
1-amino-N-propan-2-yl-N-propylisoquinoline-4-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-4-carboxamide is sourced from PubChem (CID 106770496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).