5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide

C25H25ClN8O4 — CID 135205668

IUPAC5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide
SMILESCCCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O
InChIInChI=1S/C25H25ClN8O4/c1-3-4-5-21(25(37)30-16-7-8-19(24(27)36)28-12-16)33-13-22(38-2)18(11-23(33)35)17-10-15(26)6-9-20(17)34-14-29-31-32-34/h6-14,21H,3-5H2,1-2H3,(H2,27,36)(H,30,37)
InChIKeyZIAUCGPBMPJNBL-UHFFFAOYSA-N
MW536.98 g/mol
LogP3.02
Rot. Bonds10

About 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide

5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide (PubChem CID 135205668) has the molecular formula C25H25ClN8O4 and a molecular weight of 536.98 g/mol. Its IUPAC name is 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide
PubChem CID135205668
Molecular FormulaC25H25ClN8O4
Molecular Weight536.98 g/mol
Exact Mass536.17
IUPAC Name5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide
SMILESCCCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O
InChIInChI=1S/C25H25ClN8O4/c1-3-4-5-21(25(37)30-16-7-8-19(24(27)36)28-12-16)33-13-22(38-2)18(11-23(33)35)17-10-15(26)6-9-20(17)34-14-29-31-32-34/h6-14,21H,3-5H2,1-2H3,(H2,27,36)(H,30,37)
InChIKeyZIAUCGPBMPJNBL-UHFFFAOYSA-N
XLogP3.02
TPSA159.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.98
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide?
The IUPAC name of 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide (CID 135205668) is 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide is CCCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O.
What is the InChIKey of 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide?
The InChIKey is ZIAUCGPBMPJNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN8O4/c1-3-4-5-21(25(37)30-16-7-8-19(24(27)36)28-12-16)33-13-22(38-2)18(11-23(33)35)17-10-15(26)6-9-20(17)34-14-29-31-32-34/h6-14,21H,3-5H2,1-2H3,(H2,27,36)(H,30,37).
What are the key properties of 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide?
5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide has a molecular weight of 536.98 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]pyridine-2-carboxamide is sourced from PubChem (CID 135205668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).