7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C27H26N4O4 — CID 166632070

IUPAC7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cccc(C#Cc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)c1
InChIInChI=1S/C27H26N4O4/c1-18(2)35-24-15-25(28-16-21(24)10-9-19-6-4-8-23(14-19)34-3)30-27(33)31-13-5-7-20-11-12-22(17-32)29-26(20)31/h4,6,8,11-12,14-18H,5,7,13H2,1-3H3,(H,28,30,33)
InChIKeyVBFZMYKJVWSVTO-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.47
Rot. Bonds5

About 7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166632070) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID166632070
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cccc(C#Cc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)c1
InChIInChI=1S/C27H26N4O4/c1-18(2)35-24-15-25(28-16-21(24)10-9-19-6-4-8-23(14-19)34-3)30-27(33)31-13-5-7-20-11-12-22(17-32)29-26(20)31/h4,6,8,11-12,14-18H,5,7,13H2,1-3H3,(H,28,30,33)
InChIKeyVBFZMYKJVWSVTO-UHFFFAOYSA-N
XLogP4.47
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166632070) is 7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1cccc(C#Cc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)c1.
What is the InChIKey of 7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is VBFZMYKJVWSVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-18(2)35-24-15-25(28-16-21(24)10-9-19-6-4-8-23(14-19)34-3)30-27(33)31-13-5-7-20-11-12-22(17-32)29-26(20)31/h4,6,8,11-12,14-18H,5,7,13H2,1-3H3,(H,28,30,33).
What are the key properties of 7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formyl-N-[5-[2-(3-methoxyphenyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166632070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).