N-[5-cyano-4-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C26H26N6O5S — CID 137497272

IUPACN-[5-cyano-4-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCOCC4=C=O)c(C=O)nc32)cc1S[C@H]1CCOC1
InChIInChI=1S/C26H26N6O5S/c27-10-19-11-28-24(9-23(19)38-21-3-6-36-16-21)30-26(35)32-4-1-2-17-8-18(22(14-34)29-25(17)32)12-31-5-7-37-15-20(31)13-33/h8-9,11,14,21H,1-7,12,15-16H2,(H,28,30,35)/t21-/m0/s1
InChIKeyLDSHMUUWAVONBC-NRFANRHFSA-N
MW534.60 g/mol
LogP2.57
Rot. Bonds6

About N-[5-cyano-4-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 137497272) has the molecular formula C26H26N6O5S and a molecular weight of 534.60 g/mol. Its IUPAC name is N-[5-cyano-4-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID137497272
Molecular FormulaC26H26N6O5S
Molecular Weight534.60 g/mol
Exact Mass534.17
IUPAC NameN-[5-cyano-4-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCOCC4=C=O)c(C=O)nc32)cc1S[C@H]1CCOC1
InChIInChI=1S/C26H26N6O5S/c27-10-19-11-28-24(9-23(19)38-21-3-6-36-16-21)30-26(35)32-4-1-2-17-8-18(22(14-34)29-25(17)32)12-31-5-7-37-15-20(31)13-33/h8-9,11,14,21H,1-7,12,15-16H2,(H,28,30,35)/t21-/m0/s1
InChIKeyLDSHMUUWAVONBC-NRFANRHFSA-N
XLogP2.57
TPSA137.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.60
LogP ≤ 52.57
H-Bond Donors ≤ 51
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-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 137497272) is N-[5-cyano-4-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCOCC4=C=O)c(C=O)nc32)cc1S[C@H]1CCOC1.
What is the InChIKey of N-[5-cyano-4-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is LDSHMUUWAVONBC-NRFANRHFSA-N. The full InChI is InChI=1S/C26H26N6O5S/c27-10-19-11-28-24(9-23(19)38-21-3-6-36-16-21)30-26(35)32-4-1-2-17-8-18(22(14-34)29-25(17)32)12-31-5-7-37-15-20(31)13-33/h8-9,11,14,21H,1-7,12,15-16H2,(H,28,30,35)/t21-/m0/s1.
What are the key properties of N-[5-cyano-4-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 534.60 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-[(3S)-oxolan-3-yl]sulfanyl-2-pyridinyl]-7-formyl-6-[[3-(oxomethylidene)morpholin-4-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 137497272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).