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

C19H28N4O2 — CID 138019246

IUPAC(6R)-N-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
SMILESCOC1(CNC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)CCCC1
InChIInChI=1S/C19H28N4O2/c1-25-19(8-2-3-9-19)14-21-18(24)22-12-15-6-4-10-20-17(15)23-11-5-7-16(23)13-22/h4,6,10,16H,2-3,5,7-9,11-14H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyJTGVIAFKDFTSJA-MRXNPFEDSA-N
MW344.46 g/mol
LogP2.53
Rot. Bonds3

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

(6R)-N-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide (PubChem CID 138019246) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (6R)-N-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide.

Molecular Properties

Compound Name(6R)-N-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
PubChem CID138019246
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(6R)-N-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
SMILESCOC1(CNC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)CCCC1
InChIInChI=1S/C19H28N4O2/c1-25-19(8-2-3-9-19)14-21-18(24)22-12-15-6-4-10-20-17(15)23-11-5-7-16(23)13-22/h4,6,10,16H,2-3,5,7-9,11-14H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyJTGVIAFKDFTSJA-MRXNPFEDSA-N
XLogP2.53
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-N-[(1-methoxycyclopentyl)methyl]-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

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-(2-oxopyrrolidin-1-yl)ethyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 138053497
(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
(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-[(1-methoxy-4-phenylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122014253
N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methoxy-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 155967891
2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 62000482
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
(3-methoxy-1,2-thiazol-5-yl)-[(6S)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-trien-8-yl]methanone
CID 138022215
(6S)-N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 136585729
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47048297
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide
CID 129334200

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
The IUPAC name of (6R)-N-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide (CID 138019246) is (6R)-N-[(1-methoxycyclopentyl)methyl]-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-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
The canonical SMILES for (6R)-N-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide is COC1(CNC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)CCCC1.
What is the InChIKey of (6R)-N-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
The InChIKey is JTGVIAFKDFTSJA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-25-19(8-2-3-9-19)14-21-18(24)22-12-15-6-4-10-20-17(15)23-11-5-7-16(23)13-22/h4,6,10,16H,2-3,5,7-9,11-14H2,1H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (6R)-N-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide?
(6R)-N-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(1-methoxycyclopentyl)methyl]-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide is sourced from PubChem (CID 138019246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).