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

C22H22N6O5 — CID 142284720

IUPACN-(5-cyano-4-oxo-1H-pyridin-2-yl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(=O)c(C#N)c[nH]2)CCC3)C1=O
InChIInChI=1S/C22H22N6O5/c1-33-18-4-6-27(21(18)31)11-14-7-13-3-2-5-28(20(13)25-16(14)12-29)22(32)26-19-8-17(30)15(9-23)10-24-19/h7-8,10,12,18H,2-6,11H2,1H3,(H2,24,26,30,32)
InChIKeyNNRTXOLKNZDBBU-UHFFFAOYSA-N
MW450.46 g/mol
LogP1.19
Rot. Bonds5

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

N-(5-cyano-4-oxo-1H-pyridin-2-yl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 142284720) has the molecular formula C22H22N6O5 and a molecular weight of 450.46 g/mol. Its IUPAC name is N-(5-cyano-4-oxo-1H-pyridin-2-yl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-4-oxo-1H-pyridin-2-yl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID142284720
Molecular FormulaC22H22N6O5
Molecular Weight450.46 g/mol
Exact Mass450.17
IUPAC NameN-(5-cyano-4-oxo-1H-pyridin-2-yl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(=O)c(C#N)c[nH]2)CCC3)C1=O
InChIInChI=1S/C22H22N6O5/c1-33-18-4-6-27(21(18)31)11-14-7-13-3-2-5-28(20(13)25-16(14)12-29)22(32)26-19-8-17(30)15(9-23)10-24-19/h7-8,10,12,18H,2-6,11H2,1H3,(H2,24,26,30,32)
InChIKeyNNRTXOLKNZDBBU-UHFFFAOYSA-N
XLogP1.19
TPSA148.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
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-oxo-1H-pyridin-2-yl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-4-oxo-1H-pyridin-2-yl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 142284720) is N-(5-cyano-4-oxo-1H-pyridin-2-yl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-4-oxo-1H-pyridin-2-yl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-4-oxo-1H-pyridin-2-yl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(=O)c(C#N)c[nH]2)CCC3)C1=O.
What is the InChIKey of N-(5-cyano-4-oxo-1H-pyridin-2-yl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is NNRTXOLKNZDBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O5/c1-33-18-4-6-27(21(18)31)11-14-7-13-3-2-5-28(20(13)25-16(14)12-29)22(32)26-19-8-17(30)15(9-23)10-24-19/h7-8,10,12,18H,2-6,11H2,1H3,(H2,24,26,30,32).
What are the key properties of N-(5-cyano-4-oxo-1H-pyridin-2-yl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-4-oxo-1H-pyridin-2-yl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 450.46 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-4-oxo-1H-pyridin-2-yl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 142284720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).