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

C27H30N4O4 — CID 166626969

IUPAC7-formyl-N-[5-[2-(3-methoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cccc(CCc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)c1
InChIInChI=1S/C27H30N4O4/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,5,7,9-10,13H2,1-3H3,(H,28,30,33)
InChIKeyCTZCEVYUWJOAFR-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.85
Rot. Bonds8

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

7-formyl-N-[5-[2-(3-methoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166626969) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 7-formyl-N-[5-[2-(3-methoxyphenyl)ethyl]-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)ethyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID166626969
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name7-formyl-N-[5-[2-(3-methoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cccc(CCc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)c1
InChIInChI=1S/C27H30N4O4/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,5,7,9-10,13H2,1-3H3,(H,28,30,33)
InChIKeyCTZCEVYUWJOAFR-UHFFFAOYSA-N
XLogP4.85
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-formyl-N-[5-[2-(3-methoxyphenyl)ethyl]-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)ethyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166626969) is 7-formyl-N-[5-[2-(3-methoxyphenyl)ethyl]-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)ethyl]-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)ethyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1cccc(CCc2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)c1.
What is the InChIKey of 7-formyl-N-[5-[2-(3-methoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is CTZCEVYUWJOAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/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,5,7,9-10,13H2,1-3H3,(H,28,30,33).
What are the key properties of 7-formyl-N-[5-[2-(3-methoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-formyl-N-[5-[2-(3-methoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 4.85, 8 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)ethyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166626969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).