5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]-N-methylpyridine-2-carboxamide

C22H19ClN8O4 — CID 135205086

IUPAC5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)Cn2cc(OC)c(-c3cc(Cl)ccc3-n3cnnn3)cc2=O)cn1
InChIInChI=1S/C22H19ClN8O4/c1-24-22(34)17-5-4-14(9-25-17)27-20(32)11-30-10-19(35-2)16(8-21(30)33)15-7-13(23)3-6-18(15)31-12-26-28-29-31/h3-10,12H,11H2,1-2H3,(H,24,34)(H,27,32)
InChIKeyMPORBPNHVULGJP-UHFFFAOYSA-N
MW494.90 g/mol
LogP1.55
Rot. Bonds7

About 5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]-N-methylpyridine-2-carboxamide

5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 135205086) has the molecular formula C22H19ClN8O4 and a molecular weight of 494.90 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]-N-methylpyridine-2-carboxamide
PubChem CID135205086
Molecular FormulaC22H19ClN8O4
Molecular Weight494.90 g/mol
Exact Mass494.12
IUPAC Name5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)Cn2cc(OC)c(-c3cc(Cl)ccc3-n3cnnn3)cc2=O)cn1
InChIInChI=1S/C22H19ClN8O4/c1-24-22(34)17-5-4-14(9-25-17)27-20(32)11-30-10-19(35-2)16(8-21(30)33)15-7-13(23)3-6-18(15)31-12-26-28-29-31/h3-10,12H,11H2,1-2H3,(H,24,34)(H,27,32)
InChIKeyMPORBPNHVULGJP-UHFFFAOYSA-N
XLogP1.55
TPSA145.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.90
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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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]acetyl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]-N-methylpyridine-2-carboxamide (CID 135205086) is 5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)Cn2cc(OC)c(-c3cc(Cl)ccc3-n3cnnn3)cc2=O)cn1.
What is the InChIKey of 5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is MPORBPNHVULGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN8O4/c1-24-22(34)17-5-4-14(9-25-17)27-20(32)11-30-10-19(35-2)16(8-21(30)33)15-7-13(23)3-6-18(15)31-12-26-28-29-31/h3-10,12H,11H2,1-2H3,(H,24,34)(H,27,32).
What are the key properties of 5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]-N-methylpyridine-2-carboxamide?
5-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 494.90 g/mol, XLogP of 1.55, 7 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]acetyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135205086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).