7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C23H26F2N5OP — CID 145025444

IUPAC7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESC/C=C/C(=C\C=N\C)c1cc(C(N)=O)nc2c1CCN(Cc1ccnc(C(F)(F)P)c1)C2
InChIInChI=1S/C23H26F2N5OP/c1-3-4-16(6-8-27-2)18-12-19(22(26)31)29-20-14-30(10-7-17(18)20)13-15-5-9-28-21(11-15)23(24,25)32/h3-6,8-9,11-12H,7,10,13-14,32H2,1-2H3,(H2,26,31)/b4-3+,16-6+,27-8+
InChIKeyOZKJIAUTFXBOTB-WVSOYXHHSA-N
MW457.47 g/mol
LogP3.72
Rot. Bonds7

About 7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 145025444) has the molecular formula C23H26F2N5OP and a molecular weight of 457.47 g/mol. Its IUPAC name is 7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID145025444
Molecular FormulaC23H26F2N5OP
Molecular Weight457.47 g/mol
Exact Mass457.18
IUPAC Name7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESC/C=C/C(=C\C=N\C)c1cc(C(N)=O)nc2c1CCN(Cc1ccnc(C(F)(F)P)c1)C2
InChIInChI=1S/C23H26F2N5OP/c1-3-4-16(6-8-27-2)18-12-19(22(26)31)29-20-14-30(10-7-17(18)20)13-15-5-9-28-21(11-15)23(24,25)32/h3-6,8-9,11-12H,7,10,13-14,32H2,1-2H3,(H2,26,31)/b4-3+,16-6+,27-8+
InChIKeyOZKJIAUTFXBOTB-WVSOYXHHSA-N
XLogP3.72
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 145025444) is 7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is C/C=C/C(=C\C=N\C)c1cc(C(N)=O)nc2c1CCN(Cc1ccnc(C(F)(F)P)c1)C2.
What is the InChIKey of 7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is OZKJIAUTFXBOTB-WVSOYXHHSA-N. The full InChI is InChI=1S/C23H26F2N5OP/c1-3-4-16(6-8-27-2)18-12-19(22(26)31)29-20-14-30(10-7-17(18)20)13-15-5-9-28-21(11-15)23(24,25)32/h3-6,8-9,11-12H,7,10,13-14,32H2,1-2H3,(H2,26,31)/b4-3+,16-6+,27-8+.
What are the key properties of 7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 457.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 145025444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).