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

C26H26N6O2 — CID 166625952

IUPAC7-formyl-N-[4-(2-methylpropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)CNc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccccn1
InChIInChI=1S/C26H26N6O2/c1-18(2)15-28-23-14-24(29-16-20(23)9-10-21-7-3-4-12-27-21)31-26(34)32-13-5-6-19-8-11-22(17-33)30-25(19)32/h3-4,7-8,11-12,14,16-18H,5-6,13,15H2,1-2H3,(H2,28,29,31,34)
InChIKeyWQWJYCUSYLZSRV-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.14
Rot. Bonds5

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

7-formyl-N-[4-(2-methylpropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166625952) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 7-formyl-N-[4-(2-methylpropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-formyl-N-[4-(2-methylpropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID166625952
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name7-formyl-N-[4-(2-methylpropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)CNc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccccn1
InChIInChI=1S/C26H26N6O2/c1-18(2)15-28-23-14-24(29-16-20(23)9-10-21-7-3-4-12-27-21)31-26(34)32-13-5-6-19-8-11-22(17-33)30-25(19)32/h3-4,7-8,11-12,14,16-18H,5-6,13,15H2,1-2H3,(H2,28,29,31,34)
InChIKeyWQWJYCUSYLZSRV-UHFFFAOYSA-N
XLogP4.14
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
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-(2-methylpropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 7-formyl-N-[4-(2-methylpropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166625952) is 7-formyl-N-[4-(2-methylpropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 7-formyl-N-[4-(2-methylpropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 7-formyl-N-[4-(2-methylpropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(C)CNc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#Cc1ccccn1.
What is the InChIKey of 7-formyl-N-[4-(2-methylpropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is WQWJYCUSYLZSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-18(2)15-28-23-14-24(29-16-20(23)9-10-21-7-3-4-12-27-21)31-26(34)32-13-5-6-19-8-11-22(17-33)30-25(19)32/h3-4,7-8,11-12,14,16-18H,5-6,13,15H2,1-2H3,(H2,28,29,31,34).
What are the key properties of 7-formyl-N-[4-(2-methylpropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-formyl-N-[4-(2-methylpropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formyl-N-[4-(2-methylpropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166625952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).