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

C26H31N7O5 — CID 162654770

IUPACN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(CN4C[C@@H](N(C)C)CC4=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C26H31N7O5/c1-31(2)20-10-24(35)32(15-20)14-18-9-17-5-4-6-33(25(17)29-21(18)16-34)26(36)30-23-11-22(38-8-7-37-3)19(12-27)13-28-23/h9,11,13,16,20H,4-8,10,14-15H2,1-3H3,(H,28,30,36)/t20-/m0/s1
InChIKeyLWBSWJUHXCHFLP-FQEVSTJZSA-N
MW521.58 g/mol
LogP1.83
Rot. Bonds9

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

N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 162654770) has the molecular formula C26H31N7O5 and a molecular weight of 521.58 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID162654770
Molecular FormulaC26H31N7O5
Molecular Weight521.58 g/mol
Exact Mass521.24
IUPAC NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(CN4C[C@@H](N(C)C)CC4=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C26H31N7O5/c1-31(2)20-10-24(35)32(15-20)14-18-9-17-5-4-6-33(25(17)29-21(18)16-34)26(36)30-23-11-22(38-8-7-37-3)19(12-27)13-28-23/h9,11,13,16,20H,4-8,10,14-15H2,1-3H3,(H,28,30,36)/t20-/m0/s1
InChIKeyLWBSWJUHXCHFLP-FQEVSTJZSA-N
XLogP1.83
TPSA140.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.58
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 162654770) is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCOc1cc(NC(=O)N2CCCc3cc(CN4C[C@@H](N(C)C)CC4=O)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is LWBSWJUHXCHFLP-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H31N7O5/c1-31(2)20-10-24(35)32(15-20)14-18-9-17-5-4-6-33(25(17)29-21(18)16-34)26(36)30-23-11-22(38-8-7-37-3)19(12-27)13-28-23/h9,11,13,16,20H,4-8,10,14-15H2,1-3H3,(H,28,30,36)/t20-/m0/s1.
What are the key properties of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 521.58 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4S)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 162654770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).