(6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide

C18H25N5O2 — CID 138053497

IUPAC(6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
SMILESO=C1CCCN1CCNC(=O)N1Cc2cccnc2N2CCC[C@@H]2C1
InChIInChI=1S/C18H25N5O2/c24-16-6-3-9-21(16)11-8-20-18(25)22-12-14-4-1-7-19-17(14)23-10-2-5-15(23)13-22/h1,4,7,15H,2-3,5-6,8-13H2,(H,20,25)/t15-/m1/s1
InChIKeyIOLVZLDKWDNXSS-OAHLLOKOSA-N
MW343.43 g/mol
LogP1.20
Rot. Bonds3

About (6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide

(6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide (PubChem CID 138053497) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide.

Molecular Properties

Compound Name(6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
PubChem CID138053497
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
SMILESO=C1CCCN1CCNC(=O)N1Cc2cccnc2N2CCC[C@@H]2C1
InChIInChI=1S/C18H25N5O2/c24-16-6-3-9-21(16)11-8-20-18(25)22-12-14-4-1-7-19-17(14)23-10-2-5-15(23)13-22/h1,4,7,15H,2-3,5-6,8-13H2,(H,20,25)/t15-/m1/s1
InChIKeyIOLVZLDKWDNXSS-OAHLLOKOSA-N
XLogP1.20
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide with MolForge

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Related Compounds

(6R)-N-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 138019246
2-cyclopropyl-1-[(6R)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]ethanone
CID 167911960
(6R)-N-(2-propan-2-yltetrazol-5-yl)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 167927713
4-oxo-N-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 167833760
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641
(6S)-N-[(6-oxo-1H-pyridazin-3-yl)methyl]-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 138019263
1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
CID 138003231
N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)azetidine-1-carboxamide
CID 138053388
(3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95765233
(3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide
CID 95270738
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-4-carboxamide
CID 117080929
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CID 95765390

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
The IUPAC name of (6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide (CID 138053497) is (6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide.
What is the SMILES notation for (6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
The canonical SMILES for (6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide is O=C1CCCN1CCNC(=O)N1Cc2cccnc2N2CCC[C@@H]2C1.
What is the InChIKey of (6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
The InChIKey is IOLVZLDKWDNXSS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-16-6-3-9-21(16)11-8-20-18(25)22-12-14-4-1-7-19-17(14)23-10-2-5-15(23)13-22/h1,4,7,15H,2-3,5-6,8-13H2,(H,20,25)/t15-/m1/s1.
What are the key properties of (6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
(6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide is sourced from PubChem (CID 138053497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).