N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane

C17H23N5O2 — CID 159026516

IUPACN-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane
SMILESC.CC(=O)/N=C1\C=C(N(C)C)C=CC1=NN=c1c(C)cccn1O
InChIInChI=1S/C16H19N5O2.CH4/c1-11-6-5-9-21(23)16(11)19-18-14-8-7-13(20(3)4)10-15(14)17-12(2)22;/h5-10,23H,1-4H3;1H4/b17-15+,18-14?,19-16?;
InChIKeyDTQHDMGNIVWCJT-LAHTUMFASA-N
MW329.40 g/mol
LogP1.93
Rot. Bonds2

About N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane

N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane (PubChem CID 159026516) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane.

Molecular Properties

Compound NameN-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane
PubChem CID159026516
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane
SMILESC.CC(=O)/N=C1\C=C(N(C)C)C=CC1=NN=c1c(C)cccn1O
InChIInChI=1S/C16H19N5O2.CH4/c1-11-6-5-9-21(23)16(11)19-18-14-8-7-13(20(3)4)10-15(14)17-12(2)22;/h5-10,23H,1-4H3;1H4/b17-15+,18-14?,19-16?;
InChIKeyDTQHDMGNIVWCJT-LAHTUMFASA-N
XLogP1.93
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane?
The IUPAC name of N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane (CID 159026516) is N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane.
What is the SMILES notation for N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane?
The canonical SMILES for N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane is C.CC(=O)/N=C1\C=C(N(C)C)C=CC1=NN=c1c(C)cccn1O.
What is the InChIKey of N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane?
The InChIKey is DTQHDMGNIVWCJT-LAHTUMFASA-N. The full InChI is InChI=1S/C16H19N5O2.CH4/c1-11-6-5-9-21(23)16(11)19-18-14-8-7-13(20(3)4)10-15(14)17-12(2)22;/h5-10,23H,1-4H3;1H4/b17-15+,18-14?,19-16?;.
What are the key properties of N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane?
N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane has a molecular weight of 329.40 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-6-[(1-hydroxy-3-methyl-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide;methane is sourced from PubChem (CID 159026516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).