tert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate

C14H20N4O2 — CID 129192615

IUPACtert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate
SMILESC=C/C=N\N(C)c1cc(NC(=O)OC(C)(C)C)ccn1
InChIInChI=1S/C14H20N4O2/c1-6-8-16-18(5)12-10-11(7-9-15-12)17-13(19)20-14(2,3)4/h6-10H,1H2,2-5H3,(H,15,17,19)/b16-8-
InChIKeyDFRDWNAQHIOYOU-PXNMLYILSA-N
MW276.34 g/mol
LogP3.04
Rot. Bonds4

About tert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate

tert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate (PubChem CID 129192615) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate
PubChem CID129192615
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nametert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate
SMILESC=C/C=N\N(C)c1cc(NC(=O)OC(C)(C)C)ccn1
InChIInChI=1S/C14H20N4O2/c1-6-8-16-18(5)12-10-11(7-9-15-12)17-13(19)20-14(2,3)4/h6-10H,1H2,2-5H3,(H,15,17,19)/b16-8-
InChIKeyDFRDWNAQHIOYOU-PXNMLYILSA-N
XLogP3.04
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.04
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'}

Analyze tert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2-acetyl-4-pyridinyl)carbamate
CID 69108642
tert-butyl N-(2-ethynyl-4-pyridinyl)carbamate
CID 121231998
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pent-2-enoic acid
CID 175357023
tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate
CID 175169131
2-[acetyl(methyl)amino]ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 167764039
tert-butyl N-[4-(prop-2-enoylamino)phenyl]carbamate
CID 70001681
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium
CID 167499959
prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 102027973
tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate
CID 91109215
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
tert-butyl N-[4-[(1-methylpyrazole-3-carbonyl)amino]-2-pyridinyl]carbamate
CID 154765834

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate (CID 129192615) is tert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate is C=C/C=N\N(C)c1cc(NC(=O)OC(C)(C)C)ccn1.
What is the InChIKey of tert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate?
The InChIKey is DFRDWNAQHIOYOU-PXNMLYILSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-6-8-16-18(5)12-10-11(7-9-15-12)17-13(19)20-14(2,3)4/h6-10H,1H2,2-5H3,(H,15,17,19)/b16-8-.
What are the key properties of tert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate?
tert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate has a molecular weight of 276.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[methyl-[(Z)-prop-2-enylideneamino]amino]-4-pyridinyl]carbamate is sourced from PubChem (CID 129192615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).