2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide

C15H19N7O2 — CID 167874704

IUPAC2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide
SMILESCn1nnnc1CCNC(=O)N1CCc2c(cccc2C(N)=O)C1
InChIInChI=1S/C15H19N7O2/c1-21-13(18-19-20-21)5-7-17-15(24)22-8-6-11-10(9-22)3-2-4-12(11)14(16)23/h2-4H,5-9H2,1H3,(H2,16,23)(H,17,24)
InChIKeySILXVPARINPZHT-UHFFFAOYSA-N
MW329.36 g/mol
LogP-0.38
Rot. Bonds4

About 2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide

2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide (PubChem CID 167874704) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide
PubChem CID167874704
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide
SMILESCn1nnnc1CCNC(=O)N1CCc2c(cccc2C(N)=O)C1
InChIInChI=1S/C15H19N7O2/c1-21-13(18-19-20-21)5-7-17-15(24)22-8-6-11-10(9-22)3-2-4-12(11)14(16)23/h2-4H,5-9H2,1H3,(H2,16,23)(H,17,24)
InChIKeySILXVPARINPZHT-UHFFFAOYSA-N
XLogP-0.38
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 99833597
2-N-[(1-ethyl-3,4-dihydroisochromen-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide
CID 126819748
4-(1H-indol-4-yl)-N-[2-(1-methyltetrazol-5-yl)ethyl]piperazine-1-carboxamide
CID 154765240
2-N-[3-(1,1-difluoroethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide
CID 126825486
5-methoxy-N-[2-(3-methyl-4-pyridinyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75519799
5-acetamido-N-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47065776
N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-5-chloro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126427797
2-propanoyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104557204
2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide
CID 138036434
2-(4-chloro-1-methylpyrazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 136554282
2-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide
CID 154744266
5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47065964

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide?
The IUPAC name of 2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide (CID 167874704) is 2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide?
The canonical SMILES for 2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide is Cn1nnnc1CCNC(=O)N1CCc2c(cccc2C(N)=O)C1.
What is the InChIKey of 2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide?
The InChIKey is SILXVPARINPZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2/c1-21-13(18-19-20-21)5-7-17-15(24)22-8-6-11-10(9-22)3-2-4-12(11)14(16)23/h2-4H,5-9H2,1H3,(H2,16,23)(H,17,24).
What are the key properties of 2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide?
2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide has a molecular weight of 329.36 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1-methyltetrazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,5-dicarboxamide is sourced from PubChem (CID 167874704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).