methyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate

C14H14N4O3 — CID 2741940

IUPACmethyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(C=NNC(=O)c2cccnc2)cn1C
InChIInChI=1S/C14H14N4O3/c1-18-9-10(6-12(18)14(20)21-2)7-16-17-13(19)11-4-3-5-15-8-11/h3-9H,1-2H3,(H,17,19)
InChIKeyPKRAPTYHZYWZEV-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.97
Rot. Bonds4

About methyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate

methyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate (PubChem CID 2741940) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is methyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate
PubChem CID2741940
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Namemethyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(C=NNC(=O)c2cccnc2)cn1C
InChIInChI=1S/C14H14N4O3/c1-18-9-10(6-12(18)14(20)21-2)7-16-17-13(19)11-4-3-5-15-8-11/h3-9H,1-2H3,(H,17,19)
InChIKeyPKRAPTYHZYWZEV-UHFFFAOYSA-N
XLogP0.97
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
methyl 4-[(carbamoylhydrazinylidene)methyl]-1-methylpyrrole-2-carboxylate
CID 2741961
N-[(1-methylpyrrol-2-yl)methylideneamino]pyridine-3-carboxamide
CID 760108
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1124780
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136777408
methyl 2-[3-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]acetate
CID 5426337
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
[2-methoxy-4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
CID 6896381
[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5369591
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 3965580
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6880150

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate (CID 2741940) is methyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate is COC(=O)c1cc(C=NNC(=O)c2cccnc2)cn1C.
What is the InChIKey of methyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate?
The InChIKey is PKRAPTYHZYWZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-18-9-10(6-12(18)14(20)21-2)7-16-17-13(19)11-4-3-5-15-8-11/h3-9H,1-2H3,(H,17,19).
What are the key properties of methyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate?
methyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[(pyridine-3-carbonylhydrazinylidene)methyl]pyrrole-2-carboxylate is sourced from PubChem (CID 2741940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).