N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine

C17H17FN4O — CID 167151931

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine
SMILESC=N/N=C\c1ccnc(NCc2c(F)ccc3c2CCO3)c1C
InChIInChI=1S/C17H17FN4O/c1-11-12(9-22-19-2)5-7-20-17(11)21-10-14-13-6-8-23-16(13)4-3-15(14)18/h3-5,7,9H,2,6,8,10H2,1H3,(H,20,21)/b22-9-
InChIKeyVUKWWNMPCIDZNV-AFPJDJCSSA-N
MW312.35 g/mol
LogP3.11
Rot. Bonds5

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine (PubChem CID 167151931) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine
PubChem CID167151931
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine
SMILESC=N/N=C\c1ccnc(NCc2c(F)ccc3c2CCO3)c1C
InChIInChI=1S/C17H17FN4O/c1-11-12(9-22-19-2)5-7-20-17(11)21-10-14-13-6-8-23-16(13)4-3-15(14)18/h3-5,7,9H,2,6,8,10H2,1H3,(H,20,21)/b22-9-
InChIKeyVUKWWNMPCIDZNV-AFPJDJCSSA-N
XLogP3.11
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine (CID 167151931) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine is C=N/N=C\c1ccnc(NCc2c(F)ccc3c2CCO3)c1C.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine?
The InChIKey is VUKWWNMPCIDZNV-AFPJDJCSSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-11-12(9-22-19-2)5-7-20-17(11)21-10-14-13-6-8-23-16(13)4-3-15(14)18/h3-5,7,9H,2,6,8,10H2,1H3,(H,20,21)/b22-9-.
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine has a molecular weight of 312.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-3-methyl-4-[(Z)-(methylidenehydrazinylidene)methyl]pyridin-2-amine is sourced from PubChem (CID 167151931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).