N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H21N3O2 — CID 43579071

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C16H21N3O2/c1-19(10-15(20)18-13-6-7-13)16(21)14-8-11-4-2-3-5-12(11)9-17-14/h2-5,13-14,17H,6-10H2,1H3,(H,18,20)
InChIKeyABBQMCIFEBOCSI-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.44
Rot. Bonds4

About N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 43579071) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID43579071
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C16H21N3O2/c1-19(10-15(20)18-13-6-7-13)16(21)14-8-11-4-2-3-5-12(11)9-17-14/h2-5,13-14,17H,6-10H2,1H3,(H,18,20)
InChIKeyABBQMCIFEBOCSI-UHFFFAOYSA-N
XLogP0.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
(3S)-N-methyl-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896108
methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
CID 60963908
(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896545
N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119267102
(3S)-N-methyl-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896139
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119273755
(3S)-N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896364
2-[cyclopropyl-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 104896313
N-methyl-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119301969
(3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62921915
2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 61160671

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 43579071) is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CN(CC(=O)NC1CC1)C(=O)C1Cc2ccccc2CN1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is ABBQMCIFEBOCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(10-15(20)18-13-6-7-13)16(21)14-8-11-4-2-3-5-12(11)9-17-14/h2-5,13-14,17H,6-10H2,1H3,(H,18,20).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 43579071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).