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

C25H23N5O3 — CID 166627957

IUPAC7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-4-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccncc1
InChIInChI=1S/C25H23N5O3/c1-17(2)33-22-14-23(27-15-20(22)6-5-18-9-11-26-12-10-18)29-25(32)30-13-3-4-19-7-8-21(16-31)28-24(19)30/h7-12,14-17H,3-4,13H2,1-2H3,(H,27,29,32)
InChIKeyCDOHRLQKAQTCNT-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.86
Rot. Bonds4

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

7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-4-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166627957) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-4-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-4-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID166627957
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-4-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccncc1
InChIInChI=1S/C25H23N5O3/c1-17(2)33-22-14-23(27-15-20(22)6-5-18-9-11-26-12-10-18)29-25(32)30-13-3-4-19-7-8-21(16-31)28-24(19)30/h7-12,14-17H,3-4,13H2,1-2H3,(H,27,29,32)
InChIKeyCDOHRLQKAQTCNT-UHFFFAOYSA-N
XLogP3.86
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.86
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-[4-propan-2-yloxy-5-(2-pyridin-4-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-4-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166627957) is 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-4-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-4-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-4-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccncc1.
What is the InChIKey of 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-4-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is CDOHRLQKAQTCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-17(2)33-22-14-23(27-15-20(22)6-5-18-9-11-26-12-10-18)29-25(32)30-13-3-4-19-7-8-21(16-31)28-24(19)30/h7-12,14-17H,3-4,13H2,1-2H3,(H,27,29,32).
What are the key properties of 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-4-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-4-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-4-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166627957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).