N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H25N5O2 — CID 120851826

IUPACN-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNC1(c2noc(CCNC(=O)N3CCc4ccccc4C3)n2)CCCC1
InChIInChI=1S/C19H25N5O2/c20-19(9-3-4-10-19)17-22-16(26-23-17)7-11-21-18(25)24-12-8-14-5-1-2-6-15(14)13-24/h1-2,5-6H,3-4,7-13,20H2,(H,21,25)
InChIKeyYDPVNCFCLPCXDP-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.11
Rot. Bonds4

About N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 120851826) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID120851826
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNC1(c2noc(CCNC(=O)N3CCc4ccccc4C3)n2)CCCC1
InChIInChI=1S/C19H25N5O2/c20-19(9-3-4-10-19)17-22-16(26-23-17)7-11-21-18(25)24-12-8-14-5-1-2-6-15(14)13-24/h1-2,5-6H,3-4,7-13,20H2,(H,21,25)
InChIKeyYDPVNCFCLPCXDP-UHFFFAOYSA-N
XLogP2.11
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 120851636
N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 60595547
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-nitrobenzamide
CID 120850141
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 86938678
N-pentyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989142
N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108888580
1-[3-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)propanoyl]piperidine-4-carboxylic acid
CID 119349582
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]naphthalene-2-sulfonamide;hydrochloride
CID 120852847
N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride
CID 119581710
1-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850099
1-[5-(2-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61352710
2-[2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)ethoxy]acetic acid
CID 79463816

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 120851826) is N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is NC1(c2noc(CCNC(=O)N3CCc4ccccc4C3)n2)CCCC1.
What is the InChIKey of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is YDPVNCFCLPCXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c20-19(9-3-4-10-19)17-22-16(26-23-17)7-11-21-18(25)24-12-8-14-5-1-2-6-15(14)13-24/h1-2,5-6H,3-4,7-13,20H2,(H,21,25).
What are the key properties of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 120851826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).