N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C26H27N7O5 — CID 162702719

IUPACN-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(NC4COC4)c(C#N)cn2)CCC3)C1=C=O
InChIInChI=1S/C26H27N7O5/c1-37-23-4-6-32(22(23)13-35)11-17-7-16-3-2-5-33(25(16)30-21(17)12-34)26(36)31-24-8-20(18(9-27)10-28-24)29-19-14-38-15-19/h7-8,10,12,19,23H,2-6,11,14-15H2,1H3,(H2,28,29,31,36)
InChIKeySLGJYMHUBFJSIM-UHFFFAOYSA-N
MW517.55 g/mol
LogP1.89
Rot. Bonds7

About N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 162702719) has the molecular formula C26H27N7O5 and a molecular weight of 517.55 g/mol. Its IUPAC name is N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID162702719
Molecular FormulaC26H27N7O5
Molecular Weight517.55 g/mol
Exact Mass517.21
IUPAC NameN-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(NC4COC4)c(C#N)cn2)CCC3)C1=C=O
InChIInChI=1S/C26H27N7O5/c1-37-23-4-6-32(22(23)13-35)11-17-7-16-3-2-5-33(25(16)30-21(17)12-34)26(36)31-24-8-20(18(9-27)10-28-24)29-19-14-38-15-19/h7-8,10,12,19,23H,2-6,11,14-15H2,1H3,(H2,28,29,31,36)
InChIKeySLGJYMHUBFJSIM-UHFFFAOYSA-N
XLogP1.89
TPSA149.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.55
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 162702719) is N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC1CCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(NC4COC4)c(C#N)cn2)CCC3)C1=C=O.
What is the InChIKey of N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is SLGJYMHUBFJSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O5/c1-37-23-4-6-32(22(23)13-35)11-17-7-16-3-2-5-33(25(16)30-21(17)12-34)26(36)31-24-8-20(18(9-27)10-28-24)29-19-14-38-15-19/h7-8,10,12,19,23H,2-6,11,14-15H2,1H3,(H2,28,29,31,36).
What are the key properties of N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 517.55 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(oxetan-3-ylamino)-2-pyridinyl]-7-formyl-6-[[3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 162702719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).