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

C24H26N6O4 — CID 118036278

IUPACN-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C24H26N6O4/c1-15(2)34-20-10-21(26-12-18(20)11-25)28-24(33)30-8-3-5-16-9-17(19(14-31)27-23(16)30)13-29-7-4-6-22(29)32/h9-10,12,14-15H,3-8,13H2,1-2H3,(H,26,28,33)
InChIKeyKLEFUSZBZSSQHZ-UHFFFAOYSA-N
MW462.51 g/mol
LogP3.06
Rot. Bonds6

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

N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036278) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[(2-oxopyrrolidin-1-yl)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-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036278
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC NameN-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C24H26N6O4/c1-15(2)34-20-10-21(26-12-18(20)11-25)28-24(33)30-8-3-5-16-9-17(19(14-31)27-23(16)30)13-29-7-4-6-22(29)32/h9-10,12,14-15H,3-8,13H2,1-2H3,(H,26,28,33)
InChIKeyKLEFUSZBZSSQHZ-UHFFFAOYSA-N
XLogP3.06
TPSA128.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(2-oxopyrrolidin-1-yl)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-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036278) is N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[(2-oxopyrrolidin-1-yl)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-[(2-oxopyrrolidin-1-yl)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-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is KLEFUSZBZSSQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-15(2)34-20-10-21(26-12-18(20)11-25)28-24(33)30-8-3-5-16-9-17(19(14-31)27-23(16)30)13-29-7-4-6-22(29)32/h9-10,12,14-15H,3-8,13H2,1-2H3,(H,26,28,33).
What are the key properties of N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).