N-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C25H28FN5O — CID 170968429

IUPACN-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESC=NN1C(c2cnc(CCCC)cc2C)=Cc2cnc(NC(=O)C3CC3F)cc2/C1=C/C
InChIInChI=1S/C25H28FN5O/c1-5-7-8-17-9-15(3)20(14-28-17)23-10-16-13-29-24(30-25(32)19-11-21(19)26)12-18(16)22(6-2)31(23)27-4/h6,9-10,12-14,19,21H,4-5,7-8,11H2,1-3H3,(H,29,30,32)/b22-6-
InChIKeyCHTVMTJKWWLGCH-HCDFXORVSA-N
MW433.53 g/mol
LogP5.21
Rot. Bonds7

About N-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

N-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 170968429) has the molecular formula C25H28FN5O and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID170968429
Molecular FormulaC25H28FN5O
Molecular Weight433.53 g/mol
Exact Mass433.23
IUPAC NameN-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESC=NN1C(c2cnc(CCCC)cc2C)=Cc2cnc(NC(=O)C3CC3F)cc2/C1=C/C
InChIInChI=1S/C25H28FN5O/c1-5-7-8-17-9-15(3)20(14-28-17)23-10-16-13-29-24(30-25(32)19-11-21(19)26)12-18(16)22(6-2)31(23)27-4/h6,9-10,12-14,19,21H,4-5,7-8,11H2,1-3H3,(H,29,30,32)/b22-6-
InChIKeyCHTVMTJKWWLGCH-HCDFXORVSA-N
XLogP5.21
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 170968429) is N-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is C=NN1C(c2cnc(CCCC)cc2C)=Cc2cnc(NC(=O)C3CC3F)cc2/C1=C/C.
What is the InChIKey of N-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is CHTVMTJKWWLGCH-HCDFXORVSA-N. The full InChI is InChI=1S/C25H28FN5O/c1-5-7-8-17-9-15(3)20(14-28-17)23-10-16-13-29-24(30-25(32)19-11-21(19)26)12-18(16)22(6-2)31(23)27-4/h6,9-10,12-14,19,21H,4-5,7-8,11H2,1-3H3,(H,29,30,32)/b22-6-.
What are the key properties of N-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
N-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 433.53 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-7-(6-butyl-4-methyl-3-pyridinyl)-5-ethylidene-6-(methylideneamino)-2,6-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 170968429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).