N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C22H26N6O5S — CID 118036169

IUPACN-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)S(C)(=O)=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C22H26N6O5S/c1-14(2)33-19-9-20(24-11-17(19)10-23)26-22(30)28-7-5-6-15-8-16(12-27(3)34(4,31)32)18(13-29)25-21(15)28/h8-9,11,13-14H,5-7,12H2,1-4H3,(H,24,26,30)
InChIKeyQHHNXXQTDZYPIK-UHFFFAOYSA-N
MW486.55 g/mol
LogP2.32
Rot. Bonds7

About N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036169) has the molecular formula C22H26N6O5S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036169
Molecular FormulaC22H26N6O5S
Molecular Weight486.55 g/mol
Exact Mass486.17
IUPAC NameN-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)S(C)(=O)=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C22H26N6O5S/c1-14(2)33-19-9-20(24-11-17(19)10-23)26-22(30)28-7-5-6-15-8-16(12-27(3)34(4,31)32)18(13-29)25-21(15)28/h8-9,11,13-14H,5-7,12H2,1-4H3,(H,24,26,30)
InChIKeyQHHNXXQTDZYPIK-UHFFFAOYSA-N
XLogP2.32
TPSA145.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036169) is N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)S(C)(=O)=O)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is QHHNXXQTDZYPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O5S/c1-14(2)33-19-9-20(24-11-17(19)10-23)26-22(30)28-7-5-6-15-8-16(12-27(3)34(4,31)32)18(13-29)25-21(15)28/h8-9,11,13-14H,5-7,12H2,1-4H3,(H,24,26,30).
What are the key properties of N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[[methyl(methylsulfonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).