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

C26H25N5O3 — CID 175886253

IUPAC7-formyl-N-[5-[2-(4-methyl-3-pyridinyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCc1ccncc1C#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1OC(C)C
InChIInChI=1S/C26H25N5O3/c1-17(2)34-23-13-24(28-15-21(23)7-6-20-14-27-11-10-18(20)3)30-26(33)31-12-4-5-19-8-9-22(16-32)29-25(19)31/h8-11,13-17H,4-5,12H2,1-3H3,(H,28,30,33)
InChIKeyQFLAKCHTVYNLNB-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.16
Rot. Bonds4

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

7-formyl-N-[5-[2-(4-methyl-3-pyridinyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 175886253) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 7-formyl-N-[5-[2-(4-methyl-3-pyridinyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name7-formyl-N-[5-[2-(4-methyl-3-pyridinyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID175886253
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name7-formyl-N-[5-[2-(4-methyl-3-pyridinyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCc1ccncc1C#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1OC(C)C
InChIInChI=1S/C26H25N5O3/c1-17(2)34-23-13-24(28-15-21(23)7-6-20-14-27-11-10-18(20)3)30-26(33)31-12-4-5-19-8-9-22(16-32)29-25(19)31/h8-11,13-17H,4-5,12H2,1-3H3,(H,28,30,33)
InChIKeyQFLAKCHTVYNLNB-UHFFFAOYSA-N
XLogP4.16
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.16
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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Related Compounds

7-formyl-N-[4-propan-2-yloxy-5-(2-pyridin-2-ylethyl)-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 175885977
N-[4-(cyclopropylamino)-5-(2-pyridin-2-ylethynyl)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 166630572
6-[[acetyl(methyl)amino]methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036406
6-[(4-acetylpiperazin-1-yl)methyl]-N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036398
N-(5-cyano-4-ethoxy-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036235
N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[(4R)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118037046
6-[[acetyl(methyl)amino]methyl]-N-[5-cyano-4-(2-methylpropoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036253
N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 166632901
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155758545
N-[5-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 121276611
N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036666
N-[5-cyano-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036518

Frequently Asked Questions

What is the IUPAC name of 7-formyl-N-[5-[2-(4-methyl-3-pyridinyl)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-(4-methyl-3-pyridinyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 175886253) is 7-formyl-N-[5-[2-(4-methyl-3-pyridinyl)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-(4-methyl-3-pyridinyl)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-(4-methyl-3-pyridinyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is Cc1ccncc1C#Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1OC(C)C.
What is the InChIKey of 7-formyl-N-[5-[2-(4-methyl-3-pyridinyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is QFLAKCHTVYNLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-17(2)34-23-13-24(28-15-21(23)7-6-20-14-27-11-10-18(20)3)30-26(33)31-12-4-5-19-8-9-22(16-32)29-25(19)31/h8-11,13-17H,4-5,12H2,1-3H3,(H,28,30,33).
What are the key properties of 7-formyl-N-[5-[2-(4-methyl-3-pyridinyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
7-formyl-N-[5-[2-(4-methyl-3-pyridinyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 4.16, 4 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-(4-methyl-3-pyridinyl)ethynyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 175886253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).