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

C27H33N7O6 — CID 142284731

IUPACN-(4-amino-5-cyano-2-pyridinyl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxyoxolane
SMILESCOC1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(N)c(C#N)cn2)CCC3)C1=O.COC1CCOC1
InChIInChI=1S/C22H23N7O4.C5H10O2/c1-33-18-4-6-28(21(18)31)11-14-7-13-3-2-5-29(20(13)26-17(14)12-30)22(32)27-19-8-16(24)15(9-23)10-25-19;1-6-5-2-3-7-4-5/h7-8,10,12,18H,2-6,11H2,1H3,(H3,24,25,27,32);5H,2-4H2,1H3
InChIKeyDMNBVMTYAKXNKR-UHFFFAOYSA-N
MW551.60 g/mol
LogP1.90
Rot. Bonds6

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

N-(4-amino-5-cyano-2-pyridinyl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxyoxolane (PubChem CID 142284731) has the molecular formula C27H33N7O6 and a molecular weight of 551.60 g/mol. Its IUPAC name is N-(4-amino-5-cyano-2-pyridinyl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxyoxolane.

Molecular Properties

Compound NameN-(4-amino-5-cyano-2-pyridinyl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxyoxolane
PubChem CID142284731
Molecular FormulaC27H33N7O6
Molecular Weight551.60 g/mol
Exact Mass551.25
IUPAC NameN-(4-amino-5-cyano-2-pyridinyl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxyoxolane
SMILESCOC1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(N)c(C#N)cn2)CCC3)C1=O.COC1CCOC1
InChIInChI=1S/C22H23N7O4.C5H10O2/c1-33-18-4-6-28(21(18)31)11-14-7-13-3-2-5-29(20(13)26-17(14)12-30)22(32)27-19-8-16(24)15(9-23)10-25-19;1-6-5-2-3-7-4-5/h7-8,10,12,18H,2-6,11H2,1H3,(H3,24,25,27,32);5H,2-4H2,1H3
InChIKeyDMNBVMTYAKXNKR-UHFFFAOYSA-N
XLogP1.90
TPSA173.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.60
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-(4-amino-5-cyano-2-pyridinyl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxyoxolane?
The IUPAC name of N-(4-amino-5-cyano-2-pyridinyl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxyoxolane (CID 142284731) is N-(4-amino-5-cyano-2-pyridinyl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxyoxolane.
What is the SMILES notation for N-(4-amino-5-cyano-2-pyridinyl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxyoxolane?
The canonical SMILES for N-(4-amino-5-cyano-2-pyridinyl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxyoxolane is COC1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(N)c(C#N)cn2)CCC3)C1=O.COC1CCOC1.
What is the InChIKey of N-(4-amino-5-cyano-2-pyridinyl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxyoxolane?
The InChIKey is DMNBVMTYAKXNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O4.C5H10O2/c1-33-18-4-6-28(21(18)31)11-14-7-13-3-2-5-29(20(13)26-17(14)12-30)22(32)27-19-8-16(24)15(9-23)10-25-19;1-6-5-2-3-7-4-5/h7-8,10,12,18H,2-6,11H2,1H3,(H3,24,25,27,32);5H,2-4H2,1H3.
What are the key properties of N-(4-amino-5-cyano-2-pyridinyl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxyoxolane?
N-(4-amino-5-cyano-2-pyridinyl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxyoxolane has a molecular weight of 551.60 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-cyano-2-pyridinyl)-7-formyl-6-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;3-methoxyoxolane is sourced from PubChem (CID 142284731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).