tert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate

C19H24N4O4 — CID 176885210

IUPACtert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate
SMILESCOc1cc(C(=O)NN)cc(-c2cc(CNC(=O)OC(C)(C)C)ccn2)c1
InChIInChI=1S/C19H24N4O4/c1-19(2,3)27-18(25)22-11-12-5-6-21-16(7-12)13-8-14(17(24)23-20)10-15(9-13)26-4/h5-10H,11,20H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyGDZKODJQIKFCPR-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.39
Rot. Bonds5

About tert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate

tert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate (PubChem CID 176885210) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is tert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate
PubChem CID176885210
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Nametert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate
SMILESCOc1cc(C(=O)NN)cc(-c2cc(CNC(=O)OC(C)(C)C)ccn2)c1
InChIInChI=1S/C19H24N4O4/c1-19(2,3)27-18(25)22-11-12-5-6-21-16(7-12)13-8-14(17(24)23-20)10-15(9-13)26-4/h5-10H,11,20H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyGDZKODJQIKFCPR-UHFFFAOYSA-N
XLogP2.39
TPSA115.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 134964726
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-2-carboxylic acid
CID 160827228
N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-ynamide
CID 176885216
N-[[2-[3-[[(2-fluorophenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-enamide
CID 176885204
N-[[2-[3-[[(2,6-dimethoxyphenyl)sulfonylamino]carbamoyl]-5-methoxyphenyl]-4-pyridinyl]methyl]prop-2-enamide
CID 176885220
tert-butyl N-[[3-(N'-hydroxycarbamimidoyl)-5-methoxyphenyl]methyl]carbamate
CID 158797970
tert-butyl N-[[3-[(Z)-N'-hydroxycarbamimidoyl]-5-methoxyphenyl]methyl]carbamate
CID 153291786
tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
CID 141438103
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[[2-(difluoromethoxy)-4-pyridinyl]methyl]carbamate
CID 59461467
tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate
CID 55539748
3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]benzoic acid
CID 146187594

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate (CID 176885210) is tert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate is COc1cc(C(=O)NN)cc(-c2cc(CNC(=O)OC(C)(C)C)ccn2)c1.
What is the InChIKey of tert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate?
The InChIKey is GDZKODJQIKFCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-19(2,3)27-18(25)22-11-12-5-6-21-16(7-12)13-8-14(17(24)23-20)10-15(9-13)26-4/h5-10H,11,20H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of tert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate?
tert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate has a molecular weight of 372.43 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[3-(hydrazinecarbonyl)-5-methoxyphenyl]-4-pyridinyl]methyl]carbamate is sourced from PubChem (CID 176885210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).