N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide

C16H19N3O — CID 62173096

IUPACN-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide
SMILESCCNc1nc(C(=O)NCC2CC2)cc2ccccc12
InChIInChI=1S/C16H19N3O/c1-2-17-15-13-6-4-3-5-12(13)9-14(19-15)16(20)18-10-11-7-8-11/h3-6,9,11H,2,7-8,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyJAKWBEZHIKYTTQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.81
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide

N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide (PubChem CID 62173096) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide
PubChem CID62173096
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide
SMILESCCNc1nc(C(=O)NCC2CC2)cc2ccccc12
InChIInChI=1S/C16H19N3O/c1-2-17-15-13-6-4-3-5-12(13)9-14(19-15)16(20)18-10-11-7-8-11/h3-6,9,11H,2,7-8,10H2,1H3,(H,17,19)(H,18,20)
InChIKeyJAKWBEZHIKYTTQ-UHFFFAOYSA-N
XLogP2.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-1-(ethylamino)isoquinoline-3-carboxamide
CID 115408648
1-(ethylamino)-N-(3-methylsulfanylpropyl)isoquinoline-3-carboxamide
CID 63964008
N-ethyl-1-(propylamino)isoquinoline-3-carboxamide
CID 55042554
1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide
CID 55041878
[1-(ethylamino)isoquinolin-3-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180973
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-3-carboxamide
CID 62337215
1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62171984
N-(2-methylpropyl)-1-(propylamino)isoquinoline-3-carboxamide
CID 62172724
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide
CID 62160626
[1-(ethylamino)isoquinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 62166101
N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62236420
N-(2,2-dimethylbutyl)-1-(methylamino)isoquinoline-3-carboxamide
CID 103464570

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide (CID 62173096) is N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide is CCNc1nc(C(=O)NCC2CC2)cc2ccccc12.
What is the InChIKey of N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide?
The InChIKey is JAKWBEZHIKYTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-17-15-13-6-4-3-5-12(13)9-14(19-15)16(20)18-10-11-7-8-11/h3-6,9,11H,2,7-8,10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide?
N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide is sourced from PubChem (CID 62173096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).