(1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide

C20H26N2O2 — CID 144877273

IUPAC(1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide
SMILESNC(=O)c1ccc2c(c1)[C@@]13CCC[C@@]1(O)C(C2)N(CC1CC1)CC3
InChIInChI=1S/C20H26N2O2/c21-18(23)15-5-4-14-11-17-20(24)7-1-6-19(20,16(14)10-15)8-9-22(17)12-13-2-3-13/h4-5,10,13,17,24H,1-3,6-9,11-12H2,(H2,21,23)/t17?,19-,20+/m0/s1
InChIKeySNAQZJCRPUAAAF-ZYJPSCNZSA-N
MW326.44 g/mol
LogP1.98
Rot. Bonds3

About (1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide

(1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide (PubChem CID 144877273) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is (1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide.

Molecular Properties

Compound Name(1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide
PubChem CID144877273
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name(1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide
SMILESNC(=O)c1ccc2c(c1)[C@@]13CCC[C@@]1(O)C(C2)N(CC1CC1)CC3
InChIInChI=1S/C20H26N2O2/c21-18(23)15-5-4-14-11-17-20(24)7-1-6-19(20,16(14)10-15)8-9-22(17)12-13-2-3-13/h4-5,10,13,17,24H,1-3,6-9,11-12H2,(H2,21,23)/t17?,19-,20+/m0/s1
InChIKeySNAQZJCRPUAAAF-ZYJPSCNZSA-N
XLogP1.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide with MolForge

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Related Compounds

17-(cyclopropylmethyl)-10-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide;10-hydroxy-N,17-dimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;10-hydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;10-hydroxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxylic acid;10-hydroxy-16-methyl-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide
CID 160757010
(1S,9R,10S)-16-(cyclopropylmethyl)-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4,10-diol
CID 129159382
(1S,9R,10S)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol
CID 158543337
17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol
CID 2487
(1S,9R,10S)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol;2,3-dihydroxybutanedioic acid
CID 24840146
(1S,9R,10S,12S)-16-(cyclopropylmethyl)-10-hydroxy-12-N-(2-morpholin-4-ylethyl)-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4,12-dicarboxamide
CID 122699193
(1S,9R,10S)-18-(cyclopropylmethyl)-13,18-diazatetracyclo[7.6.3.01,10.02,7]octadeca-2(7),3,5-triene-4,10-diol
CID 167423400
(9R,10S)-10-hydroxy-16-methyl-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxylic acid
CID 135196216
(1S,9R,10S)-18-(cyclopropylmethyl)-13-(2-piperidin-1-ylethyl)-13,18-diazatetracyclo[7.6.3.01,10.02,7]octadeca-2(7),3,5-triene-4,10-diol
CID 167423388
(1R,9R,10S)-17-(cyclobutylmethyl)-4,10-dihydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
CID 57088644
[(1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] 2-(4-methoxyphenyl)acetate
CID 44586943
[(1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] 2-(4-phenylphenyl)acetate
CID 44586890

Frequently Asked Questions

What is the IUPAC name of (1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide?
The IUPAC name of (1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide (CID 144877273) is (1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide.
What is the SMILES notation for (1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide?
The canonical SMILES for (1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide is NC(=O)c1ccc2c(c1)[C@@]13CCC[C@@]1(O)C(C2)N(CC1CC1)CC3.
What is the InChIKey of (1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide?
The InChIKey is SNAQZJCRPUAAAF-ZYJPSCNZSA-N. The full InChI is InChI=1S/C20H26N2O2/c21-18(23)15-5-4-14-11-17-20(24)7-1-6-19(20,16(14)10-15)8-9-22(17)12-13-2-3-13/h4-5,10,13,17,24H,1-3,6-9,11-12H2,(H2,21,23)/t17?,19-,20+/m0/s1.
What are the key properties of (1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide?
(1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10S)-16-(cyclopropylmethyl)-10-hydroxy-16-azatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,5-triene-4-carboxamide is sourced from PubChem (CID 144877273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).