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

C25H31N7O5 — CID 162672012

IUPACN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CN(C)C)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C25H31N7O5/c1-30(2)15-23(34)31(3)14-18-10-17-6-5-7-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-4)19(12-26)13-27-22/h10-11,13,16H,5-9,14-15H2,1-4H3,(H,27,29,35)
InChIKeySQYFEWJBHLEALW-UHFFFAOYSA-N
MW509.57 g/mol
LogP1.69
Rot. Bonds10

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

N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 162672012) has the molecular formula C25H31N7O5 and a molecular weight of 509.57 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID162672012
Molecular FormulaC25H31N7O5
Molecular Weight509.57 g/mol
Exact Mass509.24
IUPAC NameN-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CN(C)C)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C25H31N7O5/c1-30(2)15-23(34)31(3)14-18-10-17-6-5-7-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-4)19(12-26)13-27-22/h10-11,13,16H,5-9,14-15H2,1-4H3,(H,27,29,35)
InChIKeySQYFEWJBHLEALW-UHFFFAOYSA-N
XLogP1.69
TPSA140.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.57
LogP ≤ 51.69
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-[[[2-(dimethylamino)acetyl]-methylamino]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-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 162672012) is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-methylamino]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-[[[2-(dimethylamino)acetyl]-methylamino]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-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CN(C)C)c(C=O)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is SQYFEWJBHLEALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O5/c1-30(2)15-23(34)31(3)14-18-10-17-6-5-7-32(24(17)28-20(18)16-33)25(35)29-22-11-21(37-9-8-36-4)19(12-26)13-27-22/h10-11,13,16H,5-9,14-15H2,1-4H3,(H,27,29,35).
What are the key properties of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 509.57 g/mol, XLogP of 1.69, 10 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-[[[2-(dimethylamino)acetyl]-methylamino]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 162672012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).