N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide

C27H29N3O5 — CID 5275939

IUPACN-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
SMILESCCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4CCc4ccccc43)O2)c(=O)[nH]c1=O
InChIInChI=1S/C27H29N3O5/c1-2-16-15-30(27(34)29-25(16)32)23-13-21(31)22(35-23)14-28-26(33)24-19-9-5-3-7-17(19)11-12-18-8-4-6-10-20(18)24/h3-10,15,21-24,31H,2,11-14H2,1H3,(H,28,33)(H,29,32,34)/t21-,22+,23+/m0/s1
InChIKeyKOXJCZYEPDEJJU-YTFSRNRJSA-N
MW475.55 g/mol
LogP1.79
Rot. Bonds5

About N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide

N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide (PubChem CID 5275939) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
PubChem CID5275939
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC NameN-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
SMILESCCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4CCc4ccccc43)O2)c(=O)[nH]c1=O
InChIInChI=1S/C27H29N3O5/c1-2-16-15-30(27(34)29-25(16)32)23-13-21(31)22(35-23)14-28-26(33)24-19-9-5-3-7-17(19)11-12-18-8-4-6-10-20(18)24/h3-10,15,21-24,31H,2,11-14H2,1H3,(H,28,33)(H,29,32,34)/t21-,22+,23+/m0/s1
InChIKeyKOXJCZYEPDEJJU-YTFSRNRJSA-N
XLogP1.79
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide with MolForge

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Related Compounds

2',5'-Dideoxy-5'-(Tritylamino)uridine
CID 11431328
2',5'-Dideoxy-5'-[(Diphenylmethyl)amino]uridine
CID 54753440
N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl]-9H-thioxanthene-9-carboxamide
CID 5275946
N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl]-10,10-dimethyl-9H-anthracene-9-carboxamide
CID 5275957
N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl]-10,10-bis(trifluoromethyl)-9H-anthracene-9-carboxamide
CID 5275958
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]-2-phenyl-acetamide
CID 5272853
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]-9H-fluorene-9-carboxamide
CID 5275937
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]-9,10-dihydroanthracene-9-carboxamide
CID 5275938
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]-9H-thioxanthene-9-carboxamide
CID 5275943
2-(2,6-Dimethyl-phenyl)-N-[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-acetamide
CID 44290095
1-{4-Hydroxy-5-[(trityl-amino)-methyl]-tetrahydro-furan-2-yl}-1H-pyrimidine-2,4-dione
CID 44403852
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]anthracene-9-carboxamide
CID 5275940

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide?
The IUPAC name of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide (CID 5275939) is N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide.
What is the SMILES notation for N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide?
The canonical SMILES for N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide is CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4CCc4ccccc43)O2)c(=O)[nH]c1=O.
What is the InChIKey of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide?
The InChIKey is KOXJCZYEPDEJJU-YTFSRNRJSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-2-16-15-30(27(34)29-25(16)32)23-13-21(31)22(35-23)14-28-26(33)24-19-9-5-3-7-17(19)11-12-18-8-4-6-10-20(18)24/h3-10,15,21-24,31H,2,11-14H2,1H3,(H,28,33)(H,29,32,34)/t21-,22+,23+/m0/s1.
What are the key properties of N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide?
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide is sourced from PubChem (CID 5275939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).