N-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide

C23H25N7O4 — CID 90190380

IUPACN-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide
SMILESCc1c(C(O)CN2CCC(CNC(=O)c3cccc(-n4cnnn4)n3)C2)ccc2c1COC2=O
InChIInChI=1S/C23H25N7O4/c1-14-16(5-6-17-18(14)12-34-23(17)33)20(31)11-29-8-7-15(10-29)9-24-22(32)19-3-2-4-21(26-19)30-13-25-27-28-30/h2-6,13,15,20,31H,7-12H2,1H3,(H,24,32)
InChIKeyMARSGGKVEJYKLT-UHFFFAOYSA-N
MW463.50 g/mol
LogP0.82
Rot. Bonds7

About N-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide

N-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide (PubChem CID 90190380) has the molecular formula C23H25N7O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide
PubChem CID90190380
Molecular FormulaC23H25N7O4
Molecular Weight463.50 g/mol
Exact Mass463.20
IUPAC NameN-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide
SMILESCc1c(C(O)CN2CCC(CNC(=O)c3cccc(-n4cnnn4)n3)C2)ccc2c1COC2=O
InChIInChI=1S/C23H25N7O4/c1-14-16(5-6-17-18(14)12-34-23(17)33)20(31)11-29-8-7-15(10-29)9-24-22(32)19-3-2-4-21(26-19)30-13-25-27-28-30/h2-6,13,15,20,31H,7-12H2,1H3,(H,24,32)
InChIKeyMARSGGKVEJYKLT-UHFFFAOYSA-N
XLogP0.82
TPSA135.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

CID 69087446
CID 69087446
CID 69087450
CID 69087450
CID 117852238
CID 117852238
CID 139388202
CID 139388202
CID 68094634
CID 68094634
CID 69087546
CID 69087546
CID 57331748
CID 57331748
CID 69087553
CID 69087553
CID 71557028
CID 71557028
CID 71557029
CID 71557029
CID 71557521
CID 71557521
CID 71557648
CID 71557648

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide (CID 90190380) is N-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide is Cc1c(C(O)CN2CCC(CNC(=O)c3cccc(-n4cnnn4)n3)C2)ccc2c1COC2=O.
What is the InChIKey of N-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide?
The InChIKey is MARSGGKVEJYKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O4/c1-14-16(5-6-17-18(14)12-34-23(17)33)20(31)11-29-8-7-15(10-29)9-24-22(32)19-3-2-4-21(26-19)30-13-25-27-28-30/h2-6,13,15,20,31H,7-12H2,1H3,(H,24,32).
What are the key properties of N-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide?
N-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]methyl]-6-(tetrazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 90190380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).